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PUBCHEM-ZINC05473147

 MMsINC code: MMs03279473
Type: Neutral
Formula: C9H18N2O3
SMILES:   O1CCN(CC1)CCNC(OCC)=O
InChI:   InChI=1/C9H18N2O3/c1-2-14-9(12)10-3-4-11-5-7-13-8-6-11/h2-8H2,1H3,(H,10,12)

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Potential Energy
Epot(MMFF94)=23.9534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.254 g/mol  logS: -0.35651  SlogP: 0.0647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0359419  Sterimol/B1: 2.89202  Sterimol/B2: 3.21248  Sterimol/B3: 3.31649
  Sterimol/B4: 4.23511  Sterimol/L: 15.5551 
 
 Surface and Volume Properties
  Accessible surface: 442.459  Positive charged surface: 371.723  Negative charged surface: 70.7362  Volume: 203.5
  Hydrophobic surface: 337.542  Hydrophilic surface: 104.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs03279474
PUBCHEM-ZINC05473147