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NCID-ZINC01645806

 MMsINC code: MMs02286569
Type: Neutral
Formula: C11H16N2O3
SMILES:   O=C1NC(=O)N(C=C1)CC1(CCCC1)CO
InChI:   InChI=1/C11H16N2O3/c14-8-11(4-1-2-5-11)7-13-6-3-9(15)12-10(13)16/h3,6,14H,1-2,4-5,7-8H2,(H,12,15,16)

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Potential Energy
Epot(MMFF94)=30.9648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.26 g/mol  logS: -1.63823  SlogP: 0.6046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179497  Sterimol/B1: 2.49679  Sterimol/B2: 3.37208  Sterimol/B3: 3.42811
  Sterimol/B4: 5.5624  Sterimol/L: 12.4515 
 
 Surface and Volume Properties
  Accessible surface: 395.852  Positive charged surface: 279.822  Negative charged surface: 116.031  Volume: 209.875
  Hydrophobic surface: 268.286  Hydrophilic surface: 127.566
 
 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.