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NCID-ZINC01754771

 MMsINC code: MMs02364044
Type: Neutral
Formula: C11H19N3O3
SMILES:   O=C1N(CC(=O)N)C(=O)NC1(CCC)CCC
InChI:   InChI=1/C11H19N3O3/c1-3-5-11(6-4-2)9(16)14(7-8(12)15)10(17)13-11/h3-7H2,1-2H3,(H2,12,15)(H,13,17)

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Potential Energy
Epot(MMFF94)=7.26875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.291 g/mol  logS: -2.40145  SlogP: 0.3625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146079  Sterimol/B1: 3.25312  Sterimol/B2: 3.3963  Sterimol/B3: 4.48561
  Sterimol/B4: 7.18608  Sterimol/L: 12.6172 
 
 Surface and Volume Properties
  Accessible surface: 456.529  Positive charged surface: 316.363  Negative charged surface: 140.165  Volume: 232.125
  Hydrophobic surface: 231.81  Hydrophilic surface: 224.719
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.