MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01042334

Type: Neutral
Formula: C₁₄H₂₀N₂O₃

SMILES:

O1CCCC1CNC(=O)c1c(C)c([nH]c1C)C(=O)C

InChI:

InChI=1/C14H20N2O3/c1-8-12(9(2)16-13(8)10(3)17)14(18)15-7-11-5-4-6-19-11/h11,16H,4-7H2,1-3H3,(H,15,18)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.933 kcal/mol

Physical Properties
Molecular Weight: 264.325 g/mol	logS: -1.6083	SlogP: 1.74294	Reactive groups: 0

Topological Properties
Globularity: 0.073036	Sterimol/B1: 2.13577	Sterimol/B2: 2.90389	Sterimol/B3: 4.88478
Sterimol/B4: 7.02632	Sterimol/L: 15.8428

Surface and Volume Properties
Accessible surface: 524.362	Positive charged surface: 361.168	Negative charged surface: 163.194	Volume: 263.25
Hydrophobic surface: 418.684	Hydrophilic surface: 105.678

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.