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MMsINC code: MMs01658436

Type: Neutral
Formula: C₁₇H₂₀N₂O₃

SMILES:

O(C(=O)c1c2c([nH]c1)cccc2)CC(=O)N1CCCCCC1

InChI:

InChI=1/C17H20N2O3/c20-16(19-9-5-1-2-6-10-19)12-22-17(21)14-11-18-15-8-4-3-7-13(14)15/h3-4,7-8,11,18H,1-2,5-6,9-10,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.7083 kcal/mol

Physical Properties
Molecular Weight: 300.358 g/mol	logS: -3.07901	SlogP: 2.7273	Reactive groups: 0

Topological Properties
Globularity: 0.0355016	Sterimol/B1: 2.50881	Sterimol/B2: 3.28813	Sterimol/B3: 3.60622
Sterimol/B4: 6.00489	Sterimol/L: 17.297

Surface and Volume Properties
Accessible surface: 550.654	Positive charged surface: 354.818	Negative charged surface: 189.993	Volume: 292
Hydrophobic surface: 438.38	Hydrophilic surface: 112.274

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