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MMsINC code: MMs00711334

Type: Neutral
Formula: C₁₇H₂₇NO₂

SMILES:

O(C(CC)C(=O)NC(CCCCC)C)c1ccccc1

InChI:

InChI=1/C17H27NO2/c1-4-6-8-11-14(3)18-17(19)16(5-2)20-15-12-9-7-10-13-15/h7,9-10,12-14,16H,4-6,8,11H2,1-3H3,(H,18,19)/t14-,16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2421 kcal/mol

Physical Properties
Molecular Weight: 277.408 g/mol	logS: -4.53866	SlogP: 3.929	Reactive groups: 0

Topological Properties
Globularity: 0.0574579	Sterimol/B1: 3.03337	Sterimol/B2: 3.76911	Sterimol/B3: 3.90772
Sterimol/B4: 7.55199	Sterimol/L: 17.6641

Surface and Volume Properties
Accessible surface: 589.091	Positive charged surface: 399.698	Negative charged surface: 189.393	Volume: 305
Hydrophobic surface: 484.09	Hydrophilic surface: 105.001

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.