MMsINC Database Search


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MMsINC code: MMs02911163

Type: Neutral
Formula: C₂₅H₂₀N₂

SMILES:

n1c2c(n(Cc3cc4c(cc3)cccc4)c1Cc1ccccc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.1648 kcal/mol

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

Topological Properties
Globularity: 0.0990163	Sterimol/B1: 3.12568	Sterimol/B2: 3.25769	Sterimol/B3: 4.46598
Sterimol/B4: 8.78847	Sterimol/L: 16.7728

Surface and Volume Properties
Accessible surface: 611.997	Positive charged surface: 330.499	Negative charged surface: 271.48	Volume: 359.125
Hydrophobic surface: 585.691	Hydrophilic surface: 26.306

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.