MMsINC Database Search


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MMsINC code: MMs02911162

Type: Neutral
Formula: C₂₅H₂₀N₂

SMILES:

n1c2c(n(Cc3c4c(ccc3)cccc4)c1Cc1ccccc1)cccc2

InChI:

InChI=1/C25H20N2/c1-2-9-19(10-3-1)17-25-26-23-15-6-7-16-24(23)27(25)18-21-13-8-12-20-11-4-5-14-22(20)21/h1-16H,17-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.984 kcal/mol

Physical Properties
Molecular Weight: 348.449 g/mol	logS: -6.97912	SlogP: 6.09497	Reactive groups: 0

Topological Properties
Globularity: 0.138738	Sterimol/B1: 3.14312	Sterimol/B2: 4.06266	Sterimol/B3: 4.44048
Sterimol/B4: 9.57912	Sterimol/L: 14.4848

Surface and Volume Properties
Accessible surface: 593.897	Positive charged surface: 321.701	Negative charged surface: 262.655	Volume: 356.5
Hydrophobic surface: 568.154	Hydrophilic surface: 25.743

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.