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NCID-ZINC01658319

 MMsINC code: MMs02296244
Type: Neutral
Formula: C9H16N2O3
SMILES:   OC(=O)C1(NC(=O)NC)CC1C(C)C
InChI:   InChI=1/C9H16N2O3/c1-5(2)6-4-9(6,7(12)13)11-8(14)10-3/h5-6H,4H2,1-3H3,(H,12,13)(H2,10,11,14)/t6-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=40.7437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.238 g/mol  logS: -1.38476  SlogP: 0.4147  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.28017  Sterimol/B1: 1.98873  Sterimol/B2: 3.74091  Sterimol/B3: 5.36447
  Sterimol/B4: 6.61744  Sterimol/L: 11.1003 
 
 Surface and Volume Properties
  Accessible surface: 405.93  Positive charged surface: 297.417  Negative charged surface: 108.513  Volume: 195.25
  Hydrophobic surface: 212.868  Hydrophilic surface: 193.062
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02296245
NCID-ZINC01658319