MMsINC Database Search


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MMsINC code: MMs00668517

Type: Neutral
Formula: C₂₄H₁₈N₂O

SMILES:

O=C(C(c1c2c([nH]c1)cccc2)c1c2c([nH]c1)cccc2)c1ccccc1

InChI:

InChI=1/C24H18N2O/c27-24(16-8-2-1-3-9-16)23(19-14-25-21-12-6-4-10-17(19)21)20-15-26-22-13-7-5-11-18(20)22/h1-15,23,25-26H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.0776 kcal/mol

Physical Properties
Molecular Weight: 350.421 g/mol	logS: -5.74142	SlogP: 5.664	Reactive groups: 0

Topological Properties
Globularity: 0.307143	Sterimol/B1: 2.95095	Sterimol/B2: 3.97927	Sterimol/B3: 5.2819
Sterimol/B4: 9.67679	Sterimol/L: 13.9988

Surface and Volume Properties
Accessible surface: 602.581	Positive charged surface: 310.781	Negative charged surface: 283.359	Volume: 347.5
Hydrophobic surface: 501.077	Hydrophilic surface: 101.504

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.