MMsINC Database Search


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MMsINC code: MMs02612346

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₂S

SMILES:

Clc1ccc(S(=O)(=O)Nc2cc3cc([nH]c3cc2)C(C)(C)C)cc1

InChI:

InChI=1/C18H19ClN2O2S/c1-18(2,3)17-11-12-10-14(6-9-16(12)20-17)21-24(22,23)15-7-4-13(19)5-8-15/h4-11,20-21H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.6662 kcal/mol

Physical Properties
Molecular Weight: 362.881 g/mol	logS: -4.98961	SlogP: 4.9196	Reactive groups: 0

Topological Properties
Globularity: 0.126789	Sterimol/B1: 2.54424	Sterimol/B2: 3.95788	Sterimol/B3: 5.11591
Sterimol/B4: 6.74751	Sterimol/L: 14.4978

Surface and Volume Properties
Accessible surface: 585.739	Positive charged surface: 301.084	Negative charged surface: 280.234	Volume: 327.375
Hydrophobic surface: 440.809	Hydrophilic surface: 144.93

Pharmacophoric Properties
Hydrogen bond donors: 2	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.