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MMsINC code: MMs02314957

Type: Neutral
Formula: C₂₂H₃₆N₂O₂

SMILES:

Oc1cc(CN(C)C2CCCCC2)c(O)cc1CN(C)C1CCCCC1

InChI:

InChI=1/C22H36N2O2/c1-23(19-9-5-3-6-10-19)15-17-13-22(26)18(14-21(17)25)16-24(2)20-11-7-4-8-12-20/h13-14,19-20,25-26H,3-12,15-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.8844 kcal/mol

Physical Properties
Molecular Weight: 360.542 g/mol	logS: -3.34616	SlogP: 5.1596	Reactive groups: 0

Topological Properties
Globularity: 0.0626052	Sterimol/B1: 2.68725	Sterimol/B2: 2.96332	Sterimol/B3: 5.15524
Sterimol/B4: 5.36811	Sterimol/L: 19.9986

Surface and Volume Properties
Accessible surface: 648.316	Positive charged surface: 531.565	Negative charged surface: 116.751	Volume: 385.5
Hydrophobic surface: 568.9	Hydrophilic surface: 79.416

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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: 1

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Ions/Tautomers related molecules

MMs02314958
NCID-ZINC01680961