MMsINC Database Search


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MMsINC code: MMs02152130

Type: Neutral
Formula: C₁₈H₂₁ClN₂O₃S

SMILES:

Clc1ccc(NC(=O)N(CCS(=O)(=O)c2ccc(cc2)C)CC)cc1

InChI:

InChI=1/C18H21ClN2O3S/c1-3-21(18(22)20-16-8-6-15(19)7-9-16)12-13-25(23,24)17-10-4-14(2)5-11-17/h4-11H,3,12-13H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.8905 kcal/mol

Physical Properties
Molecular Weight: 380.896 g/mol	logS: -4.79265	SlogP: 3.97612	Reactive groups: 0

Topological Properties
Globularity: 0.0832075	Sterimol/B1: 2.20837	Sterimol/B2: 3.46723	Sterimol/B3: 5.04305
Sterimol/B4: 9.61775	Sterimol/L: 18.5116

Surface and Volume Properties
Accessible surface: 650.363	Positive charged surface: 334.616	Negative charged surface: 315.747	Volume: 347
Hydrophobic surface: 548.02	Hydrophilic surface: 102.343

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.