MMsINC Database Search


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MMsINC code: MMs03242123

Type: Neutral
Formula: C₂₄H₁₈N₂

SMILES:

n1c(cc(cc1\C=C\c1ccncc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H18N2/c1-3-7-20(8-4-1)22-17-23(12-11-19-13-15-25-16-14-19)26-24(18-22)21-9-5-2-6-10-21/h1-18H/b12-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.634 kcal/mol

Physical Properties
Molecular Weight: 334.422 g/mol	logS: -6.09036	SlogP: 5.981	Reactive groups: 0

Topological Properties
Globularity: 6.74103e-07	Sterimol/B1: 2.09956	Sterimol/B2: 2.10465	Sterimol/B3: 3.06847
Sterimol/B4: 11.6271	Sterimol/L: 16.9052

Surface and Volume Properties
Accessible surface: 626.882	Positive charged surface: 326.736	Negative charged surface: 283.54	Volume: 349.5
Hydrophobic surface: 593.119	Hydrophilic surface: 33.763

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.