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MMsINC code: MMs00817108

Type: Neutral
Formula: C₁₅H₂₃NO₃

SMILES:

O(C)c1cc(cc(OC)c1O)CN1CCCCCC1

InChI:

InChI=1/C15H23NO3/c1-18-13-9-12(10-14(19-2)15(13)17)11-16-7-5-3-4-6-8-16/h9-10,17H,3-8,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.9391 kcal/mol

Physical Properties
Molecular Weight: 265.353 g/mol	logS: -1.95106	SlogP: 3.0518	Reactive groups: 0

Topological Properties
Globularity: 0.17098	Sterimol/B1: 2.32255	Sterimol/B2: 3.81021	Sterimol/B3: 4.16775
Sterimol/B4: 9.51428	Sterimol/L: 13.1442

Surface and Volume Properties
Accessible surface: 507.247	Positive charged surface: 425.844	Negative charged surface: 81.4028	Volume: 271.125
Hydrophobic surface: 437.218	Hydrophilic surface: 70.029

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules

MMs00817109
CHEMBRIDGE-ZINC04978379