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PUBCHEM-ZINC06758546

 MMsINC code: MMs03853872
Type: Neutral
Formula: C10H19NO3
SMILES:   O1CCCC1C(=O)NCCCOCC
InChI:   InChI=1/C10H19NO3/c1-2-13-7-4-6-11-10(12)9-5-3-8-14-9/h9H,2-8H2,1H3,(H,11,12)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=29.0799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -1.12975  SlogP: 0.7082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0352593  Sterimol/B1: 2.53099  Sterimol/B2: 3.08674  Sterimol/B3: 3.42143
  Sterimol/B4: 4.52459  Sterimol/L: 16.5676 
 
 Surface and Volume Properties
  Accessible surface: 465.918  Positive charged surface: 377.868  Negative charged surface: 88.0498  Volume: 209.375
  Hydrophobic surface: 378.272  Hydrophilic surface: 87.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.