MMsINC Database Search


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MMsINC code: MMs02128114

Type: Neutral
Formula: C₁₄H₈Cl₂N₂O

SMILES:

Clc1cccc(Cl)c1-c1noc(c1)-c1ncccc1

InChI:

InChI=1/C14H8Cl2N2O/c15-9-4-3-5-10(16)14(9)12-8-13(19-18-12)11-6-1-2-7-17-11/h1-8H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.5601 kcal/mol

Physical Properties
Molecular Weight: 291.137 g/mol	logS: -5.00083	SlogP: 4.7104	Reactive groups: 0

Topological Properties
Globularity: 0.0259428	Sterimol/B1: 3.09831	Sterimol/B2: 3.29716	Sterimol/B3: 4.03608
Sterimol/B4: 4.87317	Sterimol/L: 15.389

Surface and Volume Properties
Accessible surface: 485.388	Positive charged surface: 217.903	Negative charged surface: 267.485	Volume: 244.5
Hydrophobic surface: 450.747	Hydrophilic surface: 34.641

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.