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MMsINC code: MMs00819557

Type: Neutral
Formula: C₂₅H₂₆N₂

SMILES:

N1(CCN(CC1)Cc1ccccc1)Cc1cc2Cc3c(-c2cc1)cccc3

InChI:

InChI=1/C25H26N2/c1-2-6-20(7-3-1)18-26-12-14-27(15-13-26)19-21-10-11-25-23(16-21)17-22-8-4-5-9-24(22)25/h1-11,16H,12-15,17-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.3 kcal/mol

Physical Properties
Molecular Weight: 354.497 g/mol	logS: -5.96822	SlogP: 5.10837	Reactive groups: 0

Topological Properties
Globularity: 0.0659233	Sterimol/B1: 2.51565	Sterimol/B2: 3.72677	Sterimol/B3: 3.96999
Sterimol/B4: 8.28195	Sterimol/L: 18.9499

Surface and Volume Properties
Accessible surface: 661.199	Positive charged surface: 440.432	Negative charged surface: 209.825	Volume: 374.5
Hydrophobic surface: 647.37	Hydrophilic surface: 13.829

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

MMs00819558
CHEMBRIDGE-ZINC04985639