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MMsINC code: MMs00127348

Type: Neutral
Formula: C₁₇H₂₁NO₄

SMILES:

O(CC(O)CN1C(=O)c2c(cccc2)C1=O)C1CCCCC1

InChI:

InChI=1/C17H21NO4/c19-12(11-22-13-6-2-1-3-7-13)10-18-16(20)14-8-4-5-9-15(14)17(18)21/h4-5,8-9,12-13,19H,1-3,6-7,10-11H2/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.199 kcal/mol

Physical Properties
Molecular Weight: 303.358 g/mol	logS: -3.34597	SlogP: 1.9928	Reactive groups: 0

Topological Properties
Globularity: 0.0409667	Sterimol/B1: 2.78401	Sterimol/B2: 3.20695	Sterimol/B3: 4.23539
Sterimol/B4: 4.69537	Sterimol/L: 18.1431

Surface and Volume Properties
Accessible surface: 564.678	Positive charged surface: 375.344	Negative charged surface: 189.334	Volume: 293
Hydrophobic surface: 455.753	Hydrophilic surface: 108.925

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.