MMsINC Database Search


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MMsINC code: MMs01085546

Type: Neutral
Formula: C₁₄H₁₂Cl₂N₂O₃S

SMILES:

Clc1ccc(Cl)cc1C(=O)NCc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C14H12Cl2N2O3S/c15-10-3-6-13(16)12(7-10)14(19)18-8-9-1-4-11(5-2-9)22(17,20)21/h1-7H,8H2,(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)=28.7002 kcal/mol

Physical Properties
Molecular Weight: 359.233 g/mol	logS: -4.9941	SlogP: 2.8372	Reactive groups: 0

Topological Properties
Globularity: 0.0501238	Sterimol/B1: 2.42006	Sterimol/B2: 3.86253	Sterimol/B3: 4.81642
Sterimol/B4: 6.3677	Sterimol/L: 17.0491

Surface and Volume Properties
Accessible surface: 560.217	Positive charged surface: 234.02	Negative charged surface: 326.197	Volume: 286.625
Hydrophobic surface: 390.243	Hydrophilic surface: 169.974

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

MMs01085547
CHEMSTAR-ZINC03384843