ID: ALA614593
Type: ORGANISM
Organism: Serratia marcescens
Species Group: Serratia marcescens
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
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
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
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
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
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
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
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
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
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