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MMsINC code: MMs00729005

Type: Neutral
Formula: C₂₁H₁₈ClNOS

SMILES:

Clc1ccccc1NC(=O)c1ccc(cc1)CSc1ccc(cc1)C

InChI:

InChI=1/C21H18ClNOS/c1-15-6-12-18(13-7-15)25-14-16-8-10-17(11-9-16)21(24)23-20-5-3-2-4-19(20)22/h2-13H,14H2,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.1954 kcal/mol

Physical Properties
Molecular Weight: 367.9 g/mol	logS: -7.35238	SlogP: 6.45942	Reactive groups: 0

Topological Properties
Globularity: 0.0229829	Sterimol/B1: 2.89968	Sterimol/B2: 4.04566	Sterimol/B3: 4.1043
Sterimol/B4: 4.86906	Sterimol/L: 21.8307

Surface and Volume Properties
Accessible surface: 642.362	Positive charged surface: 313.455	Negative charged surface: 328.907	Volume: 348.25
Hydrophobic surface: 575.197	Hydrophilic surface: 67.165

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.