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MMsINC code: MMs03252557

Type: Neutral
Formula: C₁₇H₂₃NO₃

SMILES:

OC(=O)C(NC1CCCCC1)CC(=O)c1ccc(cc1)C

InChI:

InChI=1/C17H23NO3/c1-12-7-9-13(10-8-12)16(19)11-15(17(20)21)18-14-5-3-2-4-6-14/h7-10,14-15,18H,2-6,11H2,1H3,(H,20,21)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.4358 kcal/mol

Physical Properties
Molecular Weight: 289.375 g/mol	logS: -3.27955	SlogP: 2.94332	Reactive groups: 0

Topological Properties
Globularity: 0.0341377	Sterimol/B1: 2.82584	Sterimol/B2: 3.16076	Sterimol/B3: 3.95236
Sterimol/B4: 6.55526	Sterimol/L: 16.7907

Surface and Volume Properties
Accessible surface: 549.681	Positive charged surface: 372.736	Negative charged surface: 176.945	Volume: 291.375
Hydrophobic surface: 441.839	Hydrophilic surface: 107.842

Pharmacophoric Properties
Hydrogen bond donors: 3	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.