MMsINC Database Search


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MMsINC code: MMs03369164

Type: Neutral
Formula: C₂₄H₁₈N₂

SMILES:

n1c2cc(c3c(cc(cc3)C)c2nc2c1cccc2)-c1ccc(cc1)C

InChI:

InChI=1/C24H18N2/c1-15-7-10-17(11-8-15)19-14-23-24(20-13-16(2)9-12-18(19)20)26-22-6-4-3-5-21(22)25-23/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.778 kcal/mol

Physical Properties
Molecular Weight: 334.422 g/mol	logS: -7.75166	SlogP: 6.22004	Reactive groups: 0

Topological Properties
Globularity: 0.024699	Sterimol/B1: 3.04949	Sterimol/B2: 3.09045	Sterimol/B3: 3.87619
Sterimol/B4: 8.77079	Sterimol/L: 17.4167

Surface and Volume Properties
Accessible surface: 604.341	Positive charged surface: 337.267	Negative charged surface: 253.286	Volume: 341.5
Hydrophobic surface: 557.635	Hydrophilic surface: 46.706

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: 0

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Ions/Tautomers related molecules: no related molecules available.