MMsINC Database Search


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MMsINC code: MMs02382895

Type: Neutral
Formula: C₂₄H₁₈N₂

SMILES:

n1c(cc(nc1\C=C\c1ccccc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H18N2/c1-4-10-19(11-5-1)16-17-24-25-22(20-12-6-2-7-13-20)18-23(26-24)21-14-8-3-9-15-21/h1-18H/b17-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.8549 kcal/mol

Physical Properties
Molecular Weight: 334.422 g/mol	logS: -7.1572	SlogP: 5.981	Reactive groups: 0

Topological Properties
Globularity: 4.5915e-07	Sterimol/B1: 2.10133	Sterimol/B2: 2.1035	Sterimol/B3: 5.73525
Sterimol/B4: 9.14593	Sterimol/L: 17.1185

Surface and Volume Properties
Accessible surface: 635.883	Positive charged surface: 304.826	Negative charged surface: 319.986	Volume: 350.875
Hydrophobic surface: 604.595	Hydrophilic surface: 31.288

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

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Ions/Tautomers related molecules: no related molecules available.