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MMsINC code: MMs03381137

Type: Ionized
Formula: C₁₆H₁₂Cl₂NO₃-

SMILES:

Clc1cc(ccc1Cl)C(=O)NC(Cc1ccccc1)C(=O)[O-]

InChI:

InChI=1/C16H13Cl2NO3/c17-12-7-6-11(9-13(12)18)15(20)19-14(16(21)22)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,19,20)(H,21,22)/p-1/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0413 kcal/mol

Physical Properties
Molecular Weight: 337.182 g/mol	logS: -5.08525	SlogP: 2.08437	Reactive groups: 0

Topological Properties
Globularity: 0.159964	Sterimol/B1: 2.52836	Sterimol/B2: 4.06644	Sterimol/B3: 4.43359
Sterimol/B4: 8.59118	Sterimol/L: 14.4566

Surface and Volume Properties
Accessible surface: 537.721	Positive charged surface: 213.184	Negative charged surface: 324.537	Volume: 292.125
Hydrophobic surface: 431.431	Hydrophilic surface: 106.29

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	Basic groups: 0
Chiral centers: 1

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:

MMs03381136
PUBCHEM-ZINC05769170