MMsINC Database Search


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MMsINC code: MMs00371973

Type: Neutral
Formula: C₂₅H₂₂N₂

SMILES:

[nH]1c2c(cccc2)c(C(c2c3c([nH]c2C)cccc3)c2ccccc2)c1C

InChI:

InChI=1/C25H22N2/c1-16-23(19-12-6-8-14-21(19)26-16)25(18-10-4-3-5-11-18)24-17(2)27-22-15-9-7-13-20(22)24/h3-15,25-27H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.331 kcal/mol

Physical Properties
Molecular Weight: 350.465 g/mol	logS: -6.03685	SlogP: 6.44624	Reactive groups: 0

Topological Properties
Globularity: 0.55209	Sterimol/B1: 2.31642	Sterimol/B2: 2.71388	Sterimol/B3: 8.18236
Sterimol/B4: 8.68362	Sterimol/L: 12.7038

Surface and Volume Properties
Accessible surface: 582.131	Positive charged surface: 347.131	Negative charged surface: 233.054	Volume: 360.25
Hydrophobic surface: 531.144	Hydrophilic surface: 50.987

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	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.