MMsINC Database Search


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MMsINC code: MMs02371438

Type: Neutral
Formula: C₁₆H₁₀N₄O

SMILES:

O=C1N(C=Nc2c1cccc2)c1ncnc2c1cccc2

InChI:

InChI=1/C16H10N4O/c21-16-12-6-2-4-8-14(12)19-10-20(16)15-11-5-1-3-7-13(11)17-9-18-15/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.7292 kcal/mol

Physical Properties
Molecular Weight: 274.283 g/mol	logS: -4.8664	SlogP: 2.95	Reactive groups: 0

Topological Properties
Globularity: 0.108417	Sterimol/B1: 2.53726	Sterimol/B2: 3.8867	Sterimol/B3: 4.03492
Sterimol/B4: 7.4168	Sterimol/L: 14.5331

Surface and Volume Properties
Accessible surface: 469.637	Positive charged surface: 269.8	Negative charged surface: 197.298	Volume: 250.625
Hydrophobic surface: 345.24	Hydrophilic surface: 124.397

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.