MMsINC Database Search


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MMsINC code: MMs02111869

Type: Neutral
Formula: C₂₀H₁₄Cl₂N₂O

SMILES:

Clc1ccc(cc1)-c1nc2c(n1OCc1ccc(Cl)cc1)cccc2

InChI:

InChI=1/C20H14Cl2N2O/c21-16-9-5-14(6-10-16)13-25-24-19-4-2-1-3-18(19)23-20(24)15-7-11-17(22)12-8-15/h1-12H,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.1206 kcal/mol

Physical Properties
Molecular Weight: 369.251 g/mol	logS: -7.75351	SlogP: 5.9053	Reactive groups: 0

Topological Properties
Globularity: 0.025676	Sterimol/B1: 2.67077	Sterimol/B2: 2.89686	Sterimol/B3: 3.36688
Sterimol/B4: 10.2267	Sterimol/L: 15.844

Surface and Volume Properties
Accessible surface: 595.351	Positive charged surface: 242.614	Negative charged surface: 352.737	Volume: 331.375
Hydrophobic surface: 562.224	Hydrophilic surface: 33.127

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.