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MMsINC code: MMs00775832

Type: Neutral
Formula: C₂₁H₁₈ClNOS

SMILES:

Clc1cc(NC(=O)C(Sc2ccccc2)c2ccccc2)ccc1C

InChI:

InChI=1/C21H18ClNOS/c1-15-12-13-17(14-19(15)22)23-21(24)20(16-8-4-2-5-9-16)25-18-10-6-3-7-11-18/h2-14,20H,1H3,(H,23,24)/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.424 kcal/mol

Physical Properties
Molecular Weight: 367.9 g/mol	logS: -7.06537	SlogP: 6.21602	Reactive groups: 0

Topological Properties
Globularity: 0.125486	Sterimol/B1: 3.38968	Sterimol/B2: 4.10615	Sterimol/B3: 5.30725
Sterimol/B4: 8.37967	Sterimol/L: 14.0003

Surface and Volume Properties
Accessible surface: 623.775	Positive charged surface: 306.233	Negative charged surface: 317.542	Volume: 347.875
Hydrophobic surface: 574.277	Hydrophilic surface: 49.498

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

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.