MMsINC Database Search


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MMsINC code: MMs02267365

Type: Neutral
Formula: C₁₄H₈Cl₂N₂

SMILES:

Clc1cc2c(nc(nc2Cl)-c2ccccc2)cc1

InChI:

InChI=1/C14H8Cl2N2/c15-10-6-7-12-11(8-10)13(16)18-14(17-12)9-4-2-1-3-5-9/h1-8H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.904 kcal/mol

Physical Properties
Molecular Weight: 275.138 g/mol	logS: -6.59992	SlogP: 4.6036	Reactive groups: 0

Topological Properties
Globularity: 1.28304e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.09972	Sterimol/B3: 3.80051
Sterimol/B4: 5.86506	Sterimol/L: 15.3853

Surface and Volume Properties
Accessible surface: 468.219	Positive charged surface: 171.911	Negative charged surface: 285.237	Volume: 240.125
Hydrophobic surface: 432.772	Hydrophilic surface: 35.447

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.