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NCID-ZINC01763118

 MMsINC code: MMs02368369
Type: Neutral
Formula: C9H16N2O3
SMILES:   OC(=O)C1(NC(=O)CNC)CCCC1
InChI:   InChI=1/C9H16N2O3/c1-10-6-7(12)11-9(8(13)14)4-2-3-5-9/h10H,2-6H2,1H3,(H,11,12)(H,13,14)

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Potential Energy
Epot(MMFF94)=67.2219 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.238 g/mol  logS: -0.48181  SlogP: -0.2806  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127288  Sterimol/B1: 3.26029  Sterimol/B2: 3.37509  Sterimol/B3: 3.49452
  Sterimol/B4: 5.30664  Sterimol/L: 12.6782 
 
 Surface and Volume Properties
  Accessible surface: 408.688  Positive charged surface: 321.927  Negative charged surface: 86.7608  Volume: 193.125
  Hydrophobic surface: 280.91  Hydrophilic surface: 127.778
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02368370
NCID-ZINC01763118