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NCID-ZINC01719078

 MMsINC code: MMs02344284
Type: Neutral
Formula: C8H14N2O3
SMILES:   OC(=O)CNC(=O)C1(N)CCCC1
InChI:   InChI=1/C8H14N2O3/c9-8(3-1-2-4-8)7(13)10-5-6(11)12/h1-5,9H2,(H,10,13)(H,11,12)

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Potential Energy
Epot(MMFF94)=40.625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.211 g/mol  logS: -0.40623  SlogP: -0.5413  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111907  Sterimol/B1: 2.40336  Sterimol/B2: 2.74985  Sterimol/B3: 4.15324
  Sterimol/B4: 4.39658  Sterimol/L: 12.7527 
 
 Surface and Volume Properties
  Accessible surface: 387.356  Positive charged surface: 268.529  Negative charged surface: 118.827  Volume: 175.125
  Hydrophobic surface: 206.055  Hydrophilic surface: 181.301
 
 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


MMs02344285
NCID-ZINC01719078