MMsINC Database Search


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MMsINC code: MMs00117724

Type: Neutral
Formula: C₁₄H₁₅ClN₂O₂S

SMILES:

Clc1ccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)cc1

InChI:

InChI=1/C14H15ClN2O2S/c1-17(2)13-7-5-12(6-8-13)16-20(18,19)14-9-3-11(15)4-10-14/h3-10,16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.3418 kcal/mol

Physical Properties
Molecular Weight: 310.805 g/mol	logS: -3.70842	SlogP: 3.2068	Reactive groups: 0

Topological Properties
Globularity: 0.180477	Sterimol/B1: 2.67398	Sterimol/B2: 4.98814	Sterimol/B3: 5.14496
Sterimol/B4: 5.48585	Sterimol/L: 13.129

Surface and Volume Properties
Accessible surface: 514.436	Positive charged surface: 291.077	Negative charged surface: 223.359	Volume: 275.125
Hydrophobic surface: 433.918	Hydrophilic surface: 80.518

Pharmacophoric Properties
Hydrogen bond donors: 1	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.