MMsINC Database Search


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MMsINC code: MMs02069605

Type: Neutral
Formula: C₁₈H₁₀N₄

SMILES:

n1ccccc1-c1nc2-c3c4c(-c2nn1)cccc4ccc3

InChI:

InChI=1/C18H10N4/c1-2-10-19-14(9-1)18-20-16-12-7-3-5-11-6-4-8-13(15(11)12)17(16)21-22-18/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.424 kcal/mol

Physical Properties
Molecular Weight: 282.306 g/mol	logS: -6.22706	SlogP: 3.7342	Reactive groups: 0

Topological Properties
Globularity: 3.78545e-07	Sterimol/B1: 2.09814	Sterimol/B2: 2.10189	Sterimol/B3: 4.02396
Sterimol/B4: 5.99056	Sterimol/L: 15.9269

Surface and Volume Properties
Accessible surface: 497.477	Positive charged surface: 266.052	Negative charged surface: 210.526	Volume: 266.125
Hydrophobic surface: 411.659	Hydrophilic surface: 85.818

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.