MMsINC Database Search


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MMsINC code: MMs03285057

Type: Neutral
Formula: C₂₃H₁₆N₄O

SMILES:

O=C1N(C(c2ccccc2)=C(n2nnc3c2cccc3)C=C1)c1ccccc1

InChI:

InChI=1/C23H16N4O/c28-22-16-15-21(27-20-14-8-7-13-19(20)24-25-27)23(17-9-3-1-4-10-17)26(22)18-11-5-2-6-12-18/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.572 kcal/mol

Physical Properties
Molecular Weight: 364.408 g/mol	logS: -6.00059	SlogP: 4.3601	Reactive groups: 0

Topological Properties
Globularity: 0.113368	Sterimol/B1: 2.55611	Sterimol/B2: 3.7094	Sterimol/B3: 4.37619
Sterimol/B4: 9.50783	Sterimol/L: 15.7453

Surface and Volume Properties
Accessible surface: 578.405	Positive charged surface: 303.673	Negative charged surface: 274.732	Volume: 350.125
Hydrophobic surface: 499.661	Hydrophilic surface: 78.744

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: 1

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Ions/Tautomers related molecules: no related molecules available.