MMsINC Database Search


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MMsINC code: MMs02284635

Type: Neutral
Formula: C₂₄H₁₆N₂O₂

SMILES:

O=C1N(C(=O)C=C1c1c2c([nH]c1-c1ccccc1)cccc2)c1ccccc1

InChI:

InChI=1/C24H16N2O2/c27-21-15-19(24(28)26(21)17-11-5-2-6-12-17)22-18-13-7-8-14-20(18)25-23(22)16-9-3-1-4-10-16/h1-15,25H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.1403 kcal/mol

Physical Properties
Molecular Weight: 364.404 g/mol	logS: -6.98552	SlogP: 4.7917	Reactive groups: 1

Topological Properties
Globularity: 0.136407	Sterimol/B1: 2.49935	Sterimol/B2: 4.41403	Sterimol/B3: 4.43875
Sterimol/B4: 11.0392	Sterimol/L: 15.7665

Surface and Volume Properties
Accessible surface: 616.998	Positive charged surface: 307.072	Negative charged surface: 305.372	Volume: 349.75
Hydrophobic surface: 535.314	Hydrophilic surface: 81.684

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

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Ions/Tautomers related molecules: no related molecules available.