MMsINC Database Search


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MMsINC code: MMs01506175

Type: Neutral
Formula: C₁₅H₁₅ClN₂O₃S

SMILES:

Clc1cc(ccc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1

InChI:

InChI=1/C15H15ClN2O3S/c1-18(2)22(20,21)14-8-6-13(7-9-14)17-15(19)11-4-3-5-12(16)10-11/h3-10H,1-2H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.6974 kcal/mol

Physical Properties
Molecular Weight: 338.815 g/mol	logS: -4.00272	SlogP: 2.8426	Reactive groups: 0

Topological Properties
Globularity: 0.0457553	Sterimol/B1: 3.29633	Sterimol/B2: 3.46888	Sterimol/B3: 4.39764
Sterimol/B4: 5.00704	Sterimol/L: 16.7688

Surface and Volume Properties
Accessible surface: 553.395	Positive charged surface: 293.05	Negative charged surface: 260.346	Volume: 295.375
Hydrophobic surface: 460.621	Hydrophilic surface: 92.774

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.