MMsINC Database Search


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MMsINC code: MMs00753547

Type: Neutral
Formula: C₁₉H₁₂Cl₂O₂

SMILES:

Clc1ccc(Cl)cc1C(Oc1ccc(cc1)-c1ccccc1)=O

InChI:

InChI=1/C19H12Cl2O2/c20-15-8-11-18(21)17(12-15)19(22)23-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.127 kcal/mol

Physical Properties
Molecular Weight: 343.209 g/mol	logS: -7.3939	SlogP: 5.8796	Reactive groups: 0

Topological Properties
Globularity: 0.0373473	Sterimol/B1: 3.66348	Sterimol/B2: 4.16912	Sterimol/B3: 4.19545
Sterimol/B4: 4.26753	Sterimol/L: 18.4136

Surface and Volume Properties
Accessible surface: 574.114	Positive charged surface: 227.291	Negative charged surface: 336.269	Volume: 306.625
Hydrophobic surface: 552.445	Hydrophilic surface: 21.669

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.