MMsINC Database Search


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MMsINC code: MMs02688836

Type: Neutral
Formula: C₁₅H₁₀Cl₂N₂

SMILES:

Clc1c(nn(c1Cl)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C15H10Cl2N2/c16-13-14(11-7-3-1-4-8-11)18-19(15(13)17)12-9-5-2-6-10-12/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.7288 kcal/mol

Physical Properties
Molecular Weight: 289.165 g/mol	logS: -5.71381	SlogP: 4.8461	Reactive groups: 0

Topological Properties
Globularity: 0.0396659	Sterimol/B1: 2.76591	Sterimol/B2: 2.95633	Sterimol/B3: 3.12956
Sterimol/B4: 6.07219	Sterimol/L: 15.2243

Surface and Volume Properties
Accessible surface: 489.628	Positive charged surface: 198.71	Negative charged surface: 290.918	Volume: 259.5
Hydrophobic surface: 475.297	Hydrophilic surface: 14.331

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.