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MMsINC code: MMs00230458

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₂S

SMILES:

Clc1ccccc1C(=O)Nc1sc2c(CCCC2)c1C(=O)N(C)C

InChI:

InChI=1/C18H19ClN2O2S/c1-21(2)18(23)15-12-8-4-6-10-14(12)24-17(15)20-16(22)11-7-3-5-9-13(11)19/h3,5,7,9H,4,6,8,10H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.3408 kcal/mol

Physical Properties
Molecular Weight: 362.881 g/mol	logS: -5.18312	SlogP: 4.23434	Reactive groups: 0

Topological Properties
Globularity: 0.0527281	Sterimol/B1: 1.97769	Sterimol/B2: 3.53782	Sterimol/B3: 3.80807
Sterimol/B4: 9.54196	Sterimol/L: 16.1581

Surface and Volume Properties
Accessible surface: 589.427	Positive charged surface: 371.877	Negative charged surface: 217.551	Volume: 328.375
Hydrophobic surface: 543.017	Hydrophilic surface: 46.41

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.