MMsINC Database Search


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MMsINC code: MMs00610490

Type: Neutral
Formula: C₁₅H₁₀Cl₂O₄

SMILES:

Clc1ccc(Cl)cc1C(Oc1ccc(cc1)C(OC)=O)=O

InChI:

InChI=1/C15H10Cl2O4/c1-20-14(18)9-2-5-11(6-3-9)21-15(19)12-8-10(16)4-7-13(12)17/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.8846 kcal/mol

Physical Properties
Molecular Weight: 325.147 g/mol	logS: -5.34925	SlogP: 3.9992	Reactive groups: 0

Topological Properties
Globularity: 0.0396716	Sterimol/B1: 2.92622	Sterimol/B2: 3.77981	Sterimol/B3: 4.50998
Sterimol/B4: 4.73899	Sterimol/L: 17.3512

Surface and Volume Properties
Accessible surface: 535.974	Positive charged surface: 259.236	Negative charged surface: 276.738	Volume: 274.75
Hydrophobic surface: 474.784	Hydrophilic surface: 61.19

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	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

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Ions/Tautomers related molecules: no related molecules available.