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NCID-ZINC01580079

 MMsINC code: MMs02237752
Type: Neutral
Formula: C8H14N2O2
SMILES:   O=C1N(CCCC)C(=O)NC1C
InChI:   InChI=1/C8H14N2O2/c1-3-4-5-10-7(11)6(2)9-8(10)12/h6H,3-5H2,1-2H3,(H,9,12)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=-11.7549 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.212 g/mol  logS: -1.4059  SlogP: 0.7268  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0843382  Sterimol/B1: 2.56137  Sterimol/B2: 3.62227  Sterimol/B3: 3.76854
  Sterimol/B4: 4.3068  Sterimol/L: 12.9512 
 
 Surface and Volume Properties
  Accessible surface: 379.135  Positive charged surface: 263.749  Negative charged surface: 115.386  Volume: 168.625
  Hydrophobic surface: 228.309  Hydrophilic surface: 150.826
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.