MMsINC Database Search


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MMsINC code: MMs01958474

Type: Neutral
Formula: C₂₄H₁₄N₂O

SMILES:

O=C1n2c3c(c4c2cccc4)c(cnc3-c2c1cccc2)-c1ccccc1

InChI:

InChI=1/C24H14N2O/c27-24-17-11-5-4-10-16(17)22-23-21(18-12-6-7-13-20(18)26(23)24)19(14-25-22)15-8-2-1-3-9-15/h1-14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.227 kcal/mol

Physical Properties
Molecular Weight: 346.389 g/mol	logS: -7.4886	SlogP: 5.5254	Reactive groups: 0

Topological Properties
Globularity: 0.0257642	Sterimol/B1: 3.03952	Sterimol/B2: 3.05192	Sterimol/B3: 3.35335
Sterimol/B4: 8.24092	Sterimol/L: 16.3468

Surface and Volume Properties
Accessible surface: 557.894	Positive charged surface: 288.46	Negative charged surface: 251.528	Volume: 333.125
Hydrophobic surface: 510.425	Hydrophilic surface: 47.469

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.