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Serratia marcescens

Name And Classification

ID:  ALA614593

Type:  ORGANISM

Organism:  Serratia marcescens

Species Group:  Serratia marcescens

Associated Active Ligands

  1. Tetrahydrouridine
    ALA196842

    Name:
    4-Amino-N-[5-amino-4-(3-amino-6-aminomethyl-tetrahydro-pyran-2-yloxy)-2-(4-amino-3,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-3-hydroxy-cyclohexyl]-butyramide

    Mol. Formula:
    C22H44N6O8

    M.W.:
    520.63

    Type:
    Small molecule

    AlogP:
    -5.10

    Polar Surface Area:
    267.81

    HBA:
    13

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  2. Tetrahydrouridine
    ALA211889

    Name:
    (5R),(6E)-6-(5,6-dihydro-8H-imidazo[2,1-c][1,4]thiazin-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt

    Mol. Formula:
    C13H10N3NaO3S2

    M.W.:
    343.37

    Type:
    Small molecule

    AlogP:
    1.35

    Polar Surface Area:
    75.43

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  3. Tetrahydrouridine
    ALA211143

    Name:
    (5R,6Z)-7-oxo-6-{[5-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)]methylene}-7oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt

    Mol. Formula:
    C20H16N3NaO3S2

    M.W.:
    433.49

    Type:
    Small molecule

    AlogP:
    2.93

    Polar Surface Area:
    73.74

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  4. Tetrahydrouridine
    ALA380061

    Name:
    6-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethylene)-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt

    Mol. Formula:
    C21H17N2NaO4S3

    M.W.:
    480.57

    Type:
    Small molecule

    AlogP:
    3.67

    Polar Surface Area:
    70.08

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  5. Tetrahydrouridine
    ALA212478

    Name:
    (5R),(6Z)-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethylene)-7-oxo-4-thia-1-aza-bicyclo-[3.2.0]hept-2-ene-2-carboxylic acid sodium salt

    Mol. Formula:
    C14H13N4NaO3S

    M.W.:
    340.34

    Type:
    Small molecule

    AlogP:
    0.55

    Polar Surface Area:
    78.67

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  6. Tetrahydrouridine
    ALA425963

    Name:
    (5R),(6Z)-6-(5,6-dihydro-8H-imidazo[2,1-c]-[1,4]thiazin-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt

    Mol. Formula:
    C13H10N3NaO3S2

    M.W.:
    343.37

    Type:
    Small molecule

    AlogP:
    1.35

    Polar Surface Area:
    75.43

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  7. Tetrahydrouridine
    ALA220590

    Name:
    N-[2-(dimethylamino)ethyl]-2-{[26,27,28-tris({[2-(dimethylamino)ethyl]carbamoyl}methoxy)-5,11,17,23-tetrapropylpentacyclo[19.3.1.1^{3,7}.1^{9,13}.1^{15,19}]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaen-25-yl]oxy}acetamide

    Mol. Formula:
    C64H96N8O8

    M.W.:
    1105.52

    Type:
    Small molecule

    DETAILS
  8. Tetrahydrouridine
    ALA374145

    Name:
    N-[2-(dimethylamino)ethyl]-2-{[26,27,28-tris({[2-(dimethylamino)ethyl]carbamoyl}methoxy)-5,17-bis(2-methylprop-2-en-1-yl)-11,23-bis(prop-2-en-1-yl)pentacyclo[19.3.1.1^{3,7}.1^{9,13}.1^{15,19}]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaen-25-yl]oxy}acetamide

    Mol. Formula:
    C66H92N8O8

    M.W.:
    1125.51

    Type:
    Small molecule

    DETAILS
  9. Tetrahydrouridine
    ALA221949

    Name:
    N-[2-(dimethylamino)ethyl]-2-{[26,27,28-tris({[2-(dimethylamino)ethyl]carbamoyl}methoxy)-5,17-bis(2-methylpropyl)-11,23-dipropylpentacyclo[19.3.1.1^{3,7}.1^{9,13}.1^{15,19}]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaen-25-yl]oxy}acetamide

    Mol. Formula:
    C66H100N8O8

    M.W.:
    1133.57

    Type:
    Small molecule

    DETAILS
  10. Tetrahydrouridine
    ALA221950

    Name:
    N-[2-(dimethylamino)ethyl]-3-[11,17,23-tris(2-{[2-(dimethylamino)ethyl]carbamoyl}ethyl)-25,26,27,28-tetrakis(3-methylbutoxy)pentacyclo[19.3.1.1^{3,7}.1^{9,13}.1^{15,19}]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaen-5-yl]propanamide

    Mol. Formula:
    C76H120N8O8

    M.W.:
    1273.84

    Type:
    Small molecule

    DETAILS