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NCID-ZINC05743072

 MMsINC code: MMs02493855
Type: Neutral
Formula: C9H16N2O3
SMILES:   O=C1NC(=O)NC1(CCCCC)CO
InChI:   InChI=1/C9H16N2O3/c1-2-3-4-5-9(6-12)7(13)10-8(14)11-9/h12H,2-6H2,1H3,(H2,10,11,13,14)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=3.17213 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.238 g/mol  logS: -2.01258  SlogP: 0.1372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111579  Sterimol/B1: 3.30719  Sterimol/B2: 3.37384  Sterimol/B3: 4.13491
  Sterimol/B4: 4.78735  Sterimol/L: 13.0126 
 
 Surface and Volume Properties
  Accessible surface: 410.454  Positive charged surface: 288.328  Negative charged surface: 122.126  Volume: 191.75
  Hydrophobic surface: 206.904  Hydrophilic surface: 203.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.