MMsINC Database Search


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MMsINC code: MMs01819729

Type: Neutral
Formula: C₂₀H₁₂Cl₂N₂O

SMILES:

Clc1cc(Cl)ccc1-c1nc(Oc2ccccc2)c2c(n1)cccc2

InChI:

InChI=1/C20H12Cl2N2O/c21-13-10-11-15(17(22)12-13)19-23-18-9-5-4-8-16(18)20(24-19)25-14-6-2-1-3-7-14/h1-12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.1612 kcal/mol

Physical Properties
Molecular Weight: 367.235 g/mol	logS: -8.38263	SlogP: 6.3959	Reactive groups: 0

Topological Properties
Globularity: 0.0690249	Sterimol/B1: 2.37088	Sterimol/B2: 3.48185	Sterimol/B3: 3.67539
Sterimol/B4: 10.6235	Sterimol/L: 13.5539

Surface and Volume Properties
Accessible surface: 577.656	Positive charged surface: 257.226	Negative charged surface: 310.526	Volume: 322.5
Hydrophobic surface: 554.274	Hydrophilic surface: 23.382

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.