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ENAMINE-ZINC03604977

 MMsINC code: MMs01522124
Type: Neutral
Formula: C10H14N2O3
SMILES:   O=C1N(CC(=O)N)C(=O)C2C1CCCC2
InChI:   InChI=1/C10H14N2O3/c11-8(13)5-12-9(14)6-3-1-2-4-7(6)10(12)15/h6-7H,1-5H2,(H2,11,13)/t6-,7-/m1/s1

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Potential Energy
Epot(MMFF94)=12.9184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.233 g/mol  logS: -1.56761  SlogP: -0.3531  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0959287  Sterimol/B1: 3.04783  Sterimol/B2: 3.23965  Sterimol/B3: 3.35256
  Sterimol/B4: 4.81683  Sterimol/L: 12.3757 
 
 Surface and Volume Properties
  Accessible surface: 397.3  Positive charged surface: 275.673  Negative charged surface: 121.628  Volume: 191.75
  Hydrophobic surface: 218.008  Hydrophilic surface: 179.292
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.