MMsINC Database Search


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MMsINC code: MMs01237539

Type: Neutral
Formula: C₂₄H₁₈N₂O

SMILES:

O=C(N1c2c(C=CC1c1c3c([nH]c1)cccc3)cccc2)c1ccccc1

InChI:

InChI=1/C24H18N2O/c27-24(18-9-2-1-3-10-18)26-22-13-7-4-8-17(22)14-15-23(26)20-16-25-21-12-6-5-11-19(20)21/h1-16,23,25H/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.449 kcal/mol

Physical Properties
Molecular Weight: 350.421 g/mol	logS: -5.9349	SlogP: 5.6783	Reactive groups: 0

Topological Properties
Globularity: 0.189625	Sterimol/B1: 3.28085	Sterimol/B2: 3.40569	Sterimol/B3: 4.75962
Sterimol/B4: 9.49558	Sterimol/L: 13.8423

Surface and Volume Properties
Accessible surface: 572.635	Positive charged surface: 306.335	Negative charged surface: 264.329	Volume: 344.625
Hydrophobic surface: 496.145	Hydrophilic surface: 76.49

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.