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MMsINC code: MMs00986346

Type: Neutral
Formula: C₁₉H₂₃ClN₂O₂S

SMILES:

Clc1cc2c(N(C)C(=O)C=C2SCC(=O)NC2CCCCCC2)cc1

InChI:

InChI=1/C19H23ClN2O2S/c1-22-16-9-8-13(20)10-15(16)17(11-19(22)24)25-12-18(23)21-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.5102 kcal/mol

Physical Properties
Molecular Weight: 378.924 g/mol	logS: -6.05985	SlogP: 4.2295	Reactive groups: 0

Topological Properties
Globularity: 0.026775	Sterimol/B1: 2.84542	Sterimol/B2: 3.30901	Sterimol/B3: 3.76555
Sterimol/B4: 8.64985	Sterimol/L: 18.2118

Surface and Volume Properties
Accessible surface: 626.128	Positive charged surface: 383.749	Negative charged surface: 242.379	Volume: 347.75
Hydrophobic surface: 515.299	Hydrophilic surface: 110.829

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.