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MMsINC code: MMs02248915

Type: Ionized
Formula: C₂₂H₂₆N₂O₂+2

SMILES:

Oc1ccc(O)c(C[NH2+]Cc2ccccc2)c1C[NH2+]Cc1ccccc1

InChI:

InChI=1/C22H24N2O2/c25-21-11-12-22(26)20(16-24-14-18-9-5-2-6-10-18)19(21)15-23-13-17-7-3-1-4-8-17/h1-12,23-26H,13-16H2/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.2133 kcal/mol

Physical Properties
Molecular Weight: 350.462 g/mol	logS: -3.629	SlogP: 2.6906	Reactive groups: 0

Topological Properties
Globularity: 0.043095	Sterimol/B1: 3.21506	Sterimol/B2: 3.28001	Sterimol/B3: 4.14178
Sterimol/B4: 6.28798	Sterimol/L: 20.8025

Surface and Volume Properties
Accessible surface: 661.046	Positive charged surface: 443.754	Negative charged surface: 217.292	Volume: 363.625
Hydrophobic surface: 560.726	Hydrophilic surface: 100.32

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 2
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Parent related molecule:

MMs02248914
NCID-ZINC01594597