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NCID-ZINC01702546

 MMsINC code: MMs02331847
Type: Neutral
Formula: C9H17NO3
SMILES:   O1CCN(CC1)CC(C(OC)=O)C
InChI:   InChI=1/C9H17NO3/c1-8(9(11)12-2)7-10-3-5-13-6-4-10/h8H,3-7H2,1-2H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=39.6501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.239 g/mol  logS: -0.27177  SlogP: 0.1277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121727  Sterimol/B1: 1.9876  Sterimol/B2: 3.26139  Sterimol/B3: 4.0997
  Sterimol/B4: 5.00178  Sterimol/L: 13.0324 
 
 Surface and Volume Properties
  Accessible surface: 404.268  Positive charged surface: 345.748  Negative charged surface: 58.5198  Volume: 191.75
  Hydrophobic surface: 338.576  Hydrophilic surface: 65.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02331848
NCID-ZINC01702546