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NCID-ZINC01645807

 MMsINC code: MMs02286570
Type: Neutral
Formula: C11H16N2O3
SMILES:   O=C1NC(=O)N(C=C1C)CC1(CCC1)CO
InChI:   InChI=1/C11H16N2O3/c1-8-5-13(10(16)12-9(8)15)6-11(7-14)3-2-4-11/h5,14H,2-4,6-7H2,1H3,(H,12,15,16)

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Potential Energy
Epot(MMFF94)=37.6146 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.26 g/mol  logS: -1.13996  SlogP: 0.6046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134212  Sterimol/B1: 2.81486  Sterimol/B2: 3.19001  Sterimol/B3: 3.59463
  Sterimol/B4: 5.38797  Sterimol/L: 12.004 
 
 Surface and Volume Properties
  Accessible surface: 404.056  Positive charged surface: 192.756  Negative charged surface: 85.5172  Volume: 211.125
  Hydrophobic surface: 278.875  Hydrophilic surface: 125.181
 
 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.