MMsINC Database Search


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MMsINC code: MMs01341640

Type: Neutral
Formula: C₁₅H₉Cl₃N₂O₂S

SMILES:

Clc1cc(Cl)ccc1NC(=O)CSc1oc2c(n1)cc(Cl)cc2

InChI:

InChI=1/C15H9Cl3N2O2S/c16-8-1-3-11(10(18)5-8)19-14(21)7-23-15-20-12-6-9(17)2-4-13(12)22-15/h1-6H,7H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.3624 kcal/mol

Physical Properties
Molecular Weight: 387.674 g/mol	logS: -7.83733	SlogP: 5.5188	Reactive groups: 0

Topological Properties
Globularity: 0.00671981	Sterimol/B1: 2.097	Sterimol/B2: 2.56684	Sterimol/B3: 3.12163
Sterimol/B4: 6.18708	Sterimol/L: 20.9334

Surface and Volume Properties
Accessible surface: 591.664	Positive charged surface: 215.685	Negative charged surface: 375.98	Volume: 305.875
Hydrophobic surface: 476.129	Hydrophilic surface: 115.535

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.