MMsINC Database Search


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MMsINC code: MMs01850662

Type: Neutral
Formula: C₂₄H₁₈N₂

SMILES:

n12c(C(=NC(=C1)c1ccccc1)c1ccccc1)c(c1c2cccc1)C

InChI:

InChI=1/C24H18N2/c1-17-20-14-8-9-15-22(20)26-16-21(18-10-4-2-5-11-18)25-23(24(17)26)19-12-6-3-7-13-19/h2-16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.032 kcal/mol

Physical Properties
Molecular Weight: 334.422 g/mol	logS: -6.30462	SlogP: 5.75632	Reactive groups: 0

Topological Properties
Globularity: 0.0356078	Sterimol/B1: 3.07273	Sterimol/B2: 3.24807	Sterimol/B3: 6.71116
Sterimol/B4: 7.62155	Sterimol/L: 14.4622

Surface and Volume Properties
Accessible surface: 588.775	Positive charged surface: 304.588	Negative charged surface: 278.504	Volume: 341.5
Hydrophobic surface: 575.87	Hydrophilic surface: 12.905

Pharmacophoric Properties
Hydrogen bond donors: 0	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.