MMsINC Database Search


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MMsINC code: MMs02904500

Type: Ionized
Formula: C₁₄H₉Cl₂O₃-

SMILES:

Clc1cc(C(=O)[O-])c(OCc2cc(Cl)ccc2)cc1

InChI:

InChI=1/C14H10Cl2O3/c15-10-3-1-2-9(6-10)8-19-13-5-4-11(16)7-12(13)14(17)18/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)=54.0135 kcal/mol

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

Topological Properties
Globularity: 0.0204018	Sterimol/B1: 2.53583	Sterimol/B2: 3.02289	Sterimol/B3: 3.69849
Sterimol/B4: 5.75801	Sterimol/L: 15.3878

Surface and Volume Properties
Accessible surface: 490.722	Positive charged surface: 177.098	Negative charged surface: 313.624	Volume: 250.625
Hydrophobic surface: 408.491	Hydrophilic surface: 82.231

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:

MMs02904499
PUBCHEM-ZINC02584120