MMsINC Database Search


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MMsINC code: MMs00234002

Type: Neutral
Formula: C₂₃H₁₈N₄O

SMILES:

O=C1N(C(=Nc2c1cccc2)c1ccc(cc1)C)c1nc2c(n1C)cccc2

InChI:

InChI=1/C23H18N4O/c1-15-11-13-16(14-12-15)21-24-18-8-4-3-7-17(18)22(28)27(21)23-25-19-9-5-6-10-20(19)26(23)2/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.819 kcal/mol

Physical Properties
Molecular Weight: 366.424 g/mol	logS: -7.06659	SlogP: 4.97962	Reactive groups: 0

Topological Properties
Globularity: 0.123304	Sterimol/B1: 2.51019	Sterimol/B2: 3.87936	Sterimol/B3: 4.72282
Sterimol/B4: 9.16613	Sterimol/L: 15.1827

Surface and Volume Properties
Accessible surface: 604.426	Positive charged surface: 353.967	Negative charged surface: 250.459	Volume: 353.125
Hydrophobic surface: 551.136	Hydrophilic surface: 53.29

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.