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NCID-ZINC05341436

 MMsINC code: MMs02453741
Type: Neutral
Formula: C10H16N2O4
SMILES:   OC1CC(N2CCC(=O)NC2=O)CC1CO
InChI:   InChI=1/C10H16N2O4/c13-5-6-3-7(4-8(6)14)12-2-1-9(15)11-10(12)16/h6-8,13-14H,1-5H2,(H,11,15,16)/t6-,7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=7.90818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.248 g/mol  logS: -0.14004  SlogP: -0.9399  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128015  Sterimol/B1: 3.18139  Sterimol/B2: 3.57569  Sterimol/B3: 3.60137
  Sterimol/B4: 4.3124  Sterimol/L: 13.1772 
 
 Surface and Volume Properties
  Accessible surface: 418.533  Positive charged surface: 311.161  Negative charged surface: 107.372  Volume: 205.875
  Hydrophobic surface: 222.051  Hydrophilic surface: 196.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.