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MMsINC code: MMs02378229

Type: Neutral
Formula: C₂₀H₁₂ClNOS

SMILES:

Clc1ccc(cc1)-c1[nH]c2c(c1)cc1Oc3c(Sc1c2)cccc3

InChI:

InChI=1/C20H12ClNOS/c21-14-7-5-12(6-8-14)15-9-13-10-18-20(11-16(13)22-15)24-19-4-2-1-3-17(19)23-18/h1-11,22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.313 kcal/mol

Physical Properties
Molecular Weight: 349.841 g/mol	logS: -7.60275	SlogP: 6.7452	Reactive groups: 0

Topological Properties
Globularity: 0.00646519	Sterimol/B1: 2.17681	Sterimol/B2: 3.00227	Sterimol/B3: 3.24083
Sterimol/B4: 5.16845	Sterimol/L: 19.8887

Surface and Volume Properties
Accessible surface: 566.122	Positive charged surface: 245.596	Negative charged surface: 314.847	Volume: 314.375
Hydrophobic surface: 507.763	Hydrophilic surface: 58.359

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.