MMsINC Database Search


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MMsINC code: MMs02699351

Type: Neutral
Formula: C₂₀H₁₄N₄O

SMILES:

o1cccc1-c1nc2nc3c(nc2n1-c1ccccc1C)cccc3

InChI:

InChI=1/C20H14N4O/c1-13-7-2-5-10-16(13)24-19(17-11-6-12-25-17)23-18-20(24)22-15-9-4-3-8-14(15)21-18/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.479 kcal/mol

Physical Properties
Molecular Weight: 326.359 g/mol	logS: -7.70935	SlogP: 4.53712	Reactive groups: 0

Topological Properties
Globularity: 0.10552	Sterimol/B1: 2.17365	Sterimol/B2: 4.47828	Sterimol/B3: 6.33325
Sterimol/B4: 6.64526	Sterimol/L: 15.3327

Surface and Volume Properties
Accessible surface: 561.784	Positive charged surface: 303.939	Negative charged surface: 257.845	Volume: 310.375
Hydrophobic surface: 497.726	Hydrophilic surface: 64.058

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 0

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Ions/Tautomers related molecules: no related molecules available.