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MMsINC code: MMs02256872

Type: Neutral
Formula: C₈H₁₆N₂O₂

SMILES:

O1C(CNC1=O)CN(CC)CC

InChI:

InChI=1/C8H16N2O2/c1-3-10(4-2)6-7-5-9-8(11)12-7/h7H,3-6H2,1-2H3,(H,9,11)/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.5636 kcal/mol

Physical Properties
Molecular Weight: 172.228 g/mol	logS: -0.54108	SlogP: 0.4366	Reactive groups: 0

Topological Properties
Globularity: 0.175273	Sterimol/B1: 2.22908	Sterimol/B2: 3.35652	Sterimol/B3: 3.88392
Sterimol/B4: 6.43091	Sterimol/L: 10.8565

Surface and Volume Properties
Accessible surface: 383.283	Positive charged surface: 289.074	Negative charged surface: 94.2098	Volume: 175.25
Hydrophobic surface: 236.002	Hydrophilic surface: 147.281

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

MMs02256873
NCID-ZINC01604370