MMsINC Database Search


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MMsINC code: MMs00990098

Type: Neutral
Formula: C₁₉H₂₃ClN₂O₃S

SMILES:

Clc1cc(NC(=O)c2ccc(S(=O)(=O)N(CCC)CCC)cc2)ccc1

InChI:

InChI=1/C19H23ClN2O3S/c1-3-12-22(13-4-2)26(24,25)18-10-8-15(9-11-18)19(23)21-17-7-5-6-16(20)14-17/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.59 kcal/mol

Physical Properties
Molecular Weight: 394.923 g/mol	logS: -5.06068	SlogP: 4.403	Reactive groups: 0

Topological Properties
Globularity: 0.0706811	Sterimol/B1: 2.09232	Sterimol/B2: 3.62173	Sterimol/B3: 5.74154
Sterimol/B4: 8.05698	Sterimol/L: 19.0302

Surface and Volume Properties
Accessible surface: 652.763	Positive charged surface: 347.277	Negative charged surface: 305.486	Volume: 364.625
Hydrophobic surface: 520.06	Hydrophilic surface: 132.703

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.