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MMsINC code: MMs01237992

Type: Ionized
Formula: C₁₅H₁₃Cl₂N₂O₃S-

SMILES:

Clc1cc(Cl)ccc1C(=O)NCCc1ccc(S(=O)([O-])=[NH])cc1

InChI:

InChI=1/C15H14Cl2N2O3S/c16-11-3-6-13(14(17)9-11)15(20)19-8-7-10-1-4-12(5-2-10)23(18,21)22/h1-6,9H,7-8H2,(H3,18,19,20,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.2042 kcal/mol

Physical Properties
Molecular Weight: 372.252 g/mol	logS: -5.07996	SlogP: 2.93747	Reactive groups: 0

Topological Properties
Globularity: 0.030486	Sterimol/B1: 2.51327	Sterimol/B2: 2.98095	Sterimol/B3: 3.42885
Sterimol/B4: 6.20698	Sterimol/L: 19.5832

Surface and Volume Properties
Accessible surface: 595.516	Positive charged surface: 233.323	Negative charged surface: 362.193	Volume: 307.125
Hydrophobic surface: 450.372	Hydrophilic surface: 145.144

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 3	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

search links for this molecule:

Parent related molecule:

MMs01237991
ENAMINE-ZINC01088670