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MMsINC code: MMs00848513

Type: Neutral
Formula: C₁₅H₁₂ClNOS

SMILES:

Clc1ccc(SCCc2oc3c(n2)cccc3)cc1

InChI:

InChI=1/C15H12ClNOS/c16-11-5-7-12(8-6-11)19-10-9-15-17-13-3-1-2-4-14(13)18-15/h1-8H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.2667 kcal/mol

Physical Properties
Molecular Weight: 289.786 g/mol	logS: -5.43177	SlogP: 4.81597	Reactive groups: 0

Topological Properties
Globularity: 0.0497891	Sterimol/B1: 3.25629	Sterimol/B2: 3.80553	Sterimol/B3: 4.65716
Sterimol/B4: 5.06082	Sterimol/L: 16.5066

Surface and Volume Properties
Accessible surface: 530.88	Positive charged surface: 256.457	Negative charged surface: 274.422	Volume: 264.75
Hydrophobic surface: 453.332	Hydrophilic surface: 77.548

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.