MMsINC Database Search


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MMsINC code: MMs02153841

Type: Neutral
Formula: C₁₇H₁₃Cl₂NOS₂

SMILES:

Clc1ccccc1NC(=O)CSCc1c2cc(Cl)ccc2sc1

InChI:

InChI=1/C17H13Cl2NOS2/c18-12-5-6-16-13(7-12)11(9-23-16)8-22-10-17(21)20-15-4-2-1-3-14(15)19/h1-7,9H,8,10H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1637 kcal/mol

Physical Properties
Molecular Weight: 382.335 g/mol	logS: -7.31576	SlogP: 6.3464	Reactive groups: 0

Topological Properties
Globularity: 0.0496717	Sterimol/B1: 3.22896	Sterimol/B2: 3.31936	Sterimol/B3: 5.22873
Sterimol/B4: 6.2679	Sterimol/L: 17.7702

Surface and Volume Properties
Accessible surface: 608.656	Positive charged surface: 251.084	Negative charged surface: 353.109	Volume: 324.75
Hydrophobic surface: 542.557	Hydrophilic surface: 66.099

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.