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PUBCHEM-ZINC00009386

 MMsINC code: MMs02626403
Type: Neutral
Formula: C9H12N2O2
SMILES:   O=Cc1n(ccc1)CCNC(=O)C
InChI:   InChI=1/C9H12N2O2/c1-8(13)10-4-6-11-5-2-3-9(11)7-12/h2-3,5,7H,4,6H2,1H3,(H,10,13)

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Potential Energy
Epot(MMFF94)=15.4716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.207 g/mol  logS: -0.06107  SlogP: 0.7031  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.070116  Sterimol/B1: 3.12765  Sterimol/B2: 3.46737  Sterimol/B3: 4.03735
  Sterimol/B4: 4.64421  Sterimol/L: 12.6829 
 
 Surface and Volume Properties
  Accessible surface: 392.872  Positive charged surface: 240.764  Negative charged surface: 152.108  Volume: 178.25
  Hydrophobic surface: 256.709  Hydrophilic surface: 136.163
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.