MMsINC Database Search


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MMsINC code: MMs00285940

Type: Neutral
Formula: C₂₅H₁₈N₂

SMILES:

n1n(c(cc1-c1ccccc1)-c1c2c(ccc1)cccc2)-c1ccccc1

InChI:

InChI=1/C25H18N2/c1-3-11-20(12-4-1)24-18-25(27(26-24)21-14-5-2-6-15-21)23-17-9-13-19-10-7-8-16-22(19)23/h1-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.623 kcal/mol

Physical Properties
Molecular Weight: 346.433 g/mol	logS: -8.20703	SlogP: 6.3595	Reactive groups: 0

Topological Properties
Globularity: 0.0804215	Sterimol/B1: 3.54421	Sterimol/B2: 3.78421	Sterimol/B3: 5.87185
Sterimol/B4: 7.78624	Sterimol/L: 15.2862

Surface and Volume Properties
Accessible surface: 608.203	Positive charged surface: 322.537	Negative charged surface: 278.701	Volume: 354.375
Hydrophobic surface: 590.591	Hydrophilic surface: 17.612

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.