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MMsINC code: MMs01264916

Type: Neutral
Formula: C₂₃H₃₄N₂O₂

SMILES:

O(CC(=O)NCC1(N2CCCCC2)CCCCC1)c1cc2CCCc2cc1

InChI:

InChI=1/C23H34N2O2/c26-22(17-27-21-11-10-19-8-7-9-20(19)16-21)24-18-23(12-3-1-4-13-23)25-14-5-2-6-15-25/h10-11,16H,1-9,12-15,17-18H2,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.2462 kcal/mol

Physical Properties
Molecular Weight: 370.537 g/mol	logS: -5.09203	SlogP: 3.85904	Reactive groups: 0

Topological Properties
Globularity: 0.063555	Sterimol/B1: 2.87925	Sterimol/B2: 4.49858	Sterimol/B3: 5.88536
Sterimol/B4: 5.94569	Sterimol/L: 18.1862

Surface and Volume Properties
Accessible surface: 672.971	Positive charged surface: 501.249	Negative charged surface: 171.723	Volume: 390.625
Hydrophobic surface: 628.451	Hydrophilic surface: 44.52

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 1

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Ions/Tautomers related molecules

MMs01264917
ENAMINE-ZINC02634958