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NCID-ZINC05182317

 MMsINC code: MMs02446771
Type: Neutral
Formula: C9H16N2O3
SMILES:   O=C1NC(=O)N(CC1C)CCCCO
InChI:   InChI=1/C9H16N2O3/c1-7-6-11(4-2-3-5-12)9(14)10-8(7)13/h7,12H,2-6H2,1H3,(H,10,13,14)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=-18.6645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.238 g/mol  logS: -0.31918  SlogP: -0.0532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0716318  Sterimol/B1: 2.44522  Sterimol/B2: 2.55729  Sterimol/B3: 3.35525
  Sterimol/B4: 5.80675  Sterimol/L: 13.8366 
 
 Surface and Volume Properties
  Accessible surface: 414.799  Positive charged surface: 307.318  Negative charged surface: 107.481  Volume: 193.125
  Hydrophobic surface: 233.454  Hydrophilic surface: 181.345
 
 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
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Ions/Tautomers related molecules: no related molecules available.