MMsINC Database Search


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MMsINC code: MMs01230994

Type: Neutral
Formula: C₁₅H₁₅ClN₂O₃S

SMILES:

Clc1ccc(cc1)C(=O)NCCc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C15H15ClN2O3S/c16-13-5-3-12(4-6-13)15(19)18-10-9-11-1-7-14(8-2-11)22(17,20)21/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.0974 kcal/mol

Physical Properties
Molecular Weight: 338.815 g/mol	logS: -4.32128	SlogP: 1.95987	Reactive groups: 0

Topological Properties
Globularity: 0.0372782	Sterimol/B1: 2.43298	Sterimol/B2: 3.52839	Sterimol/B3: 4.23944
Sterimol/B4: 4.81768	Sterimol/L: 19.9488

Surface and Volume Properties
Accessible surface: 571.188	Positive charged surface: 268.635	Negative charged surface: 302.553	Volume: 292
Hydrophobic surface: 397.338	Hydrophilic surface: 173.85

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01230995
ENAMINE-ZINC00457035