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MMsINC code: MMs00733582

Type: Neutral
Formula: C₁₇H₂₇NO₂

SMILES:

O(CCCCCCN1CCCC1)c1cc(OC)ccc1

InChI:

InChI=1/C17H27NO2/c1-19-16-9-8-10-17(15-16)20-14-7-3-2-4-11-18-12-5-6-13-18/h8-10,15H,2-7,11-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.0671 kcal/mol

Physical Properties
Molecular Weight: 277.408 g/mol	logS: -2.74299	SlogP: 3.7302	Reactive groups: 0

Topological Properties
Globularity: 0.0163697	Sterimol/B1: 2.86906	Sterimol/B2: 3.13377	Sterimol/B3: 3.24797
Sterimol/B4: 4.59853	Sterimol/L: 21.533

Surface and Volume Properties
Accessible surface: 604.63	Positive charged surface: 481.182	Negative charged surface: 123.449	Volume: 304.375
Hydrophobic surface: 583.4	Hydrophilic surface: 21.23

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00733583
CHEMBRIDGE-ZINC02880565