MMsINC Database Search


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MMsINC code: MMs01827193

Type: Neutral
Formula: C₂₄H₁₈N₂O

SMILES:

O=C(N1C=Cc2c(cccc2)C1c1c2c([nH]c1)cccc2)c1ccccc1

InChI:

InChI=1/C24H18N2O/c27-24(18-9-2-1-3-10-18)26-15-14-17-8-4-5-11-19(17)23(26)21-16-25-22-13-7-6-12-20(21)22/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)=119.496 kcal/mol

Physical Properties
Molecular Weight: 350.421 g/mol	logS: -5.64569	SlogP: 5.4795	Reactive groups: 0

Topological Properties
Globularity: 0.136388	Sterimol/B1: 3.66669	Sterimol/B2: 3.84685	Sterimol/B3: 4.24493
Sterimol/B4: 7.91442	Sterimol/L: 15.8129

Surface and Volume Properties
Accessible surface: 594.159	Positive charged surface: 314.848	Negative charged surface: 274.854	Volume: 344.875
Hydrophobic surface: 520.554	Hydrophilic surface: 73.605

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.