MMsINC Database Search


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MMsINC code: MMs01230749

Type: Neutral
Formula: C₁₅H₁₅ClN₂O₃S

SMILES:

Clc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1

InChI:

InChI=1/C15H15ClN2O3S/c1-18(2)22(20,21)14-9-3-11(4-10-14)15(19)17-13-7-5-12(16)6-8-13/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)=62.1891 kcal/mol

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

Topological Properties
Globularity: 0.0434639	Sterimol/B1: 2.13398	Sterimol/B2: 3.30507	Sterimol/B3: 4.3832
Sterimol/B4: 5.80675	Sterimol/L: 18.1715

Surface and Volume Properties
Accessible surface: 558.224	Positive charged surface: 297.967	Negative charged surface: 260.257	Volume: 293
Hydrophobic surface: 465.46	Hydrophilic surface: 92.764

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.