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MMsINC code: MMs02814288

Type: Neutral
Formula: C₂₄H₃₄N₂O₂

SMILES:

Oc1c2c(ccc1CNC1CCCCC1)c(CNC1CCCCC1)c(O)cc2

InChI:

InChI=1/C24H34N2O2/c27-23-14-13-21-20(22(23)16-26-19-9-5-2-6-10-19)12-11-17(24(21)28)15-25-18-7-3-1-4-8-18/h11-14,18-19,25-28H,1-10,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.9601 kcal/mol

Physical Properties
Molecular Weight: 382.548 g/mol	logS: -4.96214	SlogP: 5.6284	Reactive groups: 0

Topological Properties
Globularity: 0.0438764	Sterimol/B1: 2.1405	Sterimol/B2: 4.85058	Sterimol/B3: 4.93282
Sterimol/B4: 6.61871	Sterimol/L: 19.2577

Surface and Volume Properties
Accessible surface: 691.161	Positive charged surface: 512.074	Negative charged surface: 168.83	Volume: 398.125
Hydrophobic surface: 590.679	Hydrophilic surface: 100.482

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02814289
PUBCHEM-ZINC01552521