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NCID-ZINC01632590

 MMsINC code: MMs02277088
Type: Neutral
Formula: C10H18N2O2
SMILES:   O=C1NC(CCC(=O)NCCCC1)C
InChI:   InChI=1/C10H18N2O2/c1-8-5-6-9(13)11-7-3-2-4-10(14)12-8/h8H,2-7H2,1H3,(H,11,13)(H,12,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=29.0217 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.266 g/mol  logS: -0.78088  SlogP: 0.5714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166981  Sterimol/B1: 3.13831  Sterimol/B2: 3.23163  Sterimol/B3: 3.28095
  Sterimol/B4: 5.69935  Sterimol/L: 11.1723 
 
 Surface and Volume Properties
  Accessible surface: 378.934  Positive charged surface: 281.58  Negative charged surface: 97.3536  Volume: 200.5
  Hydrophobic surface: 283.868  Hydrophilic surface: 95.066
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.