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MMsINC code: MMs01869504

Type: Neutral
Formula: C₁₄H₁₀Cl₂O₃

SMILES:

Clc1cc(Cl)ccc1OCc1cc(ccc1)C(O)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.5181 kcal/mol

Physical Properties
Molecular Weight: 297.137 g/mol	logS: -4.64114	SlogP: 4.537	Reactive groups: 0

Topological Properties
Globularity: 0.0855052	Sterimol/B1: 2.43168	Sterimol/B2: 4.01658	Sterimol/B3: 4.52126
Sterimol/B4: 6.29322	Sterimol/L: 16.2665

Surface and Volume Properties
Accessible surface: 507.991	Positive charged surface: 210.804	Negative charged surface: 297.188	Volume: 251.75
Hydrophobic surface: 406.317	Hydrophilic surface: 101.674

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs01869505
IBS-ZINC02578453