MMsINC Database Search


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MMsINC code: MMs02146615

Type: Neutral
Formula: C₁₇H₁₄ClNOS

SMILES:

Clc1ccc(NC(=O)Cc2sc3c(cccc3)c2C)cc1

InChI:

InChI=1/C17H14ClNOS/c1-11-14-4-2-3-5-15(14)21-16(11)10-17(20)19-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.7664 kcal/mol

Physical Properties
Molecular Weight: 315.824 g/mol	logS: -5.96445	SlogP: 5.04429	Reactive groups: 0

Topological Properties
Globularity: 0.0878225	Sterimol/B1: 2.2417	Sterimol/B2: 2.68339	Sterimol/B3: 5.21821
Sterimol/B4: 6.40719	Sterimol/L: 16.7581

Surface and Volume Properties
Accessible surface: 546.761	Positive charged surface: 259.794	Negative charged surface: 282.205	Volume: 292
Hydrophobic surface: 513.25	Hydrophilic surface: 33.511

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.