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NCID-ZINC01658318

 MMsINC code: MMs02296242
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+/m1/s1

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Potential Energy
Epot(MMFF94)=16.8558 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: 0.239332  Sterimol/B1: 2.34732  Sterimol/B2: 3.78025  Sterimol/B3: 4.05585
  Sterimol/B4: 6.00675  Sterimol/L: 11.9541 
 
 Surface and Volume Properties
  Accessible surface: 408.161  Positive charged surface: 308.956  Negative charged surface: 99.2044  Volume: 193.875
  Hydrophobic surface: 224.153  Hydrophilic surface: 184.008
 
 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


MMs02296243
NCID-ZINC01658318