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MMsINC code: MMs01635336

Type: Neutral
Formula: C₁₆H₂₃NO₄

SMILES:

O(C)c1c(OC)cc(cc1OC)CC(=O)NC1CCCC1

InChI:

InChI=1/C16H23NO4/c1-19-13-8-11(9-14(20-2)16(13)21-3)10-15(18)17-12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.9128 kcal/mol

Physical Properties
Molecular Weight: 293.363 g/mol	logS: -2.69954	SlogP: 2.31367	Reactive groups: 0

Topological Properties
Globularity: 0.0460789	Sterimol/B1: 2.28509	Sterimol/B2: 3.13905	Sterimol/B3: 3.71139
Sterimol/B4: 9.53485	Sterimol/L: 16.553

Surface and Volume Properties
Accessible surface: 584.626	Positive charged surface: 491.674	Negative charged surface: 92.9518	Volume: 295.375
Hydrophobic surface: 528.042	Hydrophilic surface: 56.584

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: no related molecules available.