MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03192164

Type: Ionized
Formula: C₁₅H₁₁Cl₂N₂O₃-

SMILES:

Clc1cc(Cl)ccc1NC(=O)Nc1ccc(cc1)CC(=O)[O-]

InChI:

InChI=1/C15H12Cl2N2O3/c16-10-3-6-13(12(17)8-10)19-15(22)18-11-4-1-9(2-5-11)7-14(20)21/h1-6,8H,7H2,(H,20,21)(H2,18,19,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.9137 kcal/mol

Physical Properties
Molecular Weight: 338.17 g/mol	logS: -5.01195	SlogP: 2.92977	Reactive groups: 0

Topological Properties
Globularity: 0.0113794	Sterimol/B1: 2.57406	Sterimol/B2: 2.80595	Sterimol/B3: 3.77468
Sterimol/B4: 6.1597	Sterimol/L: 18.6558

Surface and Volume Properties
Accessible surface: 551.906	Positive charged surface: 217.006	Negative charged surface: 334.9	Volume: 284
Hydrophobic surface: 415.464	Hydrophilic surface: 136.442

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

MMs03192163
PUBCHEM-ZINC05042015