ID: ALA1707429
Chembl Id: CHEMBL1707429
PubChem CID: 284471
Max Phase: Preclinical
Molecular Formula: C16H16O4S2
Molecular Weight: 336.43
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1ccc(S(=O)(=O)C=CS(=O)(=O)c2ccc(C)cc2)cc1
Standard InChI: InChI=1S/C16H16O4S2/c1-13-3-7-15(8-4-13)21(17,18)11-12-22(19,20)16-9-5-14(2)6-10-16/h3-12H,1-2H3
Standard InChI Key: ONVBDYWGWKUWMH-UHFFFAOYSA-N
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| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
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| Molecular Weight: 336.43 | Molecular Weight (Monoisotopic): 336.0490 | AlogP: 3.02 | #Rotatable Bonds: 4 |
| Polar Surface Area: 68.28 | Molecular Species: NEUTRAL | HBA: 4 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 3.01 | CX LogD: 3.01 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.86 | Np Likeness Score: -0.46 |
| 1. PubChem BioAssay data set, |
Source(1):
