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MMsINC code: MMs02361959

Type: Ionized
Formula: C₁₄H₉Cl₂O₃-

SMILES:

Clc1cc(cc(Cl)c1OCc1ccccc1)C(=O)[O-]

InChI:

InChI=1/C14H10Cl2O3/c15-11-6-10(14(17)18)7-12(16)13(11)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.3343 kcal/mol

Physical Properties
Molecular Weight: 296.129 g/mol	logS: -4.90159	SlogP: 3.2023	Reactive groups: 0

Topological Properties
Globularity: 0.0153849	Sterimol/B1: 2.30754	Sterimol/B2: 2.96222	Sterimol/B3: 4.76014
Sterimol/B4: 4.7865	Sterimol/L: 15.4956

Surface and Volume Properties
Accessible surface: 484.182	Positive charged surface: 180.771	Negative charged surface: 303.411	Volume: 249
Hydrophobic surface: 383.029	Hydrophilic surface: 101.153

Pharmacophoric Properties
Hydrogen bond donors: 0	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:

MMs02361958
NCID-ZINC01750467