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MMsINC code: MMs03353101

Type: Neutral
Formula: C₂₂H₃₂N₂O₂

SMILES:

O(CCCCCCOc1ccc(cc1)CNC)c1ccc(cc1)CNC

InChI:

InChI=1/C22H32N2O2/c1-23-17-19-7-11-21(12-8-19)25-15-5-3-4-6-16-26-22-13-9-20(10-14-22)18-24-2/h7-14,23-24H,3-6,15-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.9321 kcal/mol

Physical Properties
Molecular Weight: 356.51 g/mol	logS: -3.56806	SlogP: 4.6764	Reactive groups: 0

Topological Properties
Globularity: 0.0118052	Sterimol/B1: 2.59345	Sterimol/B2: 3.64168	Sterimol/B3: 3.84012
Sterimol/B4: 5.2246	Sterimol/L: 27.0238

Surface and Volume Properties
Accessible surface: 758.378	Positive charged surface: 591.293	Negative charged surface: 167.086	Volume: 391.25
Hydrophobic surface: 687.58	Hydrophilic surface: 70.798

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: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs03353102
PUBCHEM-ZINC05700641