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NANOSIN-ZINC04746006

 MMsINC code: MMs02210912
Type: Neutral
Formula: C10H16N2O3
SMILES:   O=C1NC(=O)N(C=C1C)COCCCC
InChI:   InChI=1/C10H16N2O3/c1-3-4-5-15-7-12-6-8(2)9(13)11-10(12)14/h6H,3-5,7H2,1-2H3,(H,11,13,14)

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Potential Energy
Epot(MMFF94)=-12.0949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.249 g/mol  logS: -1.21635  SlogP: 1.2162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123784  Sterimol/B1: 2.82946  Sterimol/B2: 3.61844  Sterimol/B3: 4.42005
  Sterimol/B4: 5.34016  Sterimol/L: 12.992 
 
 Surface and Volume Properties
  Accessible surface: 439.888  Positive charged surface: 306.546  Negative charged surface: 133.342  Volume: 207.125
  Hydrophobic surface: 282.519  Hydrophilic surface: 157.369
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.