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MMsINC code: MMs01560612

Type: Neutral
Formula: C₁₉H₂₇NO₆

SMILES:

O(C)c1cc(OC)c(OC)cc1C(OCC(=O)NC1CCCCC1C)=O

InChI:

InChI=1/C19H27NO6/c1-12-7-5-6-8-14(12)20-18(21)11-26-19(22)13-9-16(24-3)17(25-4)10-15(13)23-2/h9-10,12,14H,5-8,11H2,1-4H3,(H,20,21)/t12-,14+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.064 kcal/mol

Physical Properties
Molecular Weight: 365.426 g/mol	logS: -3.76323	SlogP: 2.5641	Reactive groups: 0

Topological Properties
Globularity: 0.0519306	Sterimol/B1: 2.09392	Sterimol/B2: 5.54129	Sterimol/B3: 6.56597
Sterimol/B4: 6.79515	Sterimol/L: 18.7948

Surface and Volume Properties
Accessible surface: 659.74	Positive charged surface: 532.266	Negative charged surface: 127.474	Volume: 352.5
Hydrophobic surface: 554.877	Hydrophilic surface: 104.863

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.