MMsINC Database Search


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MMsINC code: MMs02216911

Type: Neutral
Formula: C₁₅H₁₄ClNS

SMILES:

Clc1ccc(cc1)C(=S)N(C)c1ccccc1C

InChI:

InChI=1/C15H14ClNS/c1-11-5-3-4-6-14(11)17(2)15(18)12-7-9-13(16)10-8-12/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.826 kcal/mol

Physical Properties
Molecular Weight: 275.803 g/mol	logS: -5.61554	SlogP: 4.46032	Reactive groups: 0

Topological Properties
Globularity: 0.108961	Sterimol/B1: 2.31399	Sterimol/B2: 3.31681	Sterimol/B3: 4.8607
Sterimol/B4: 5.89574	Sterimol/L: 15.4439

Surface and Volume Properties
Accessible surface: 483.467	Positive charged surface: 228.579	Negative charged surface: 254.888	Volume: 264.25
Hydrophobic surface: 436.671	Hydrophilic surface: 46.796

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.