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NCID-ZINC01729126

 MMsINC code: MMs02352281
Type: Neutral
Formula: C10H17NO3
SMILES:   O(C(=O)C1CCCCC1NC(=O)C)C
InChI:   InChI=1/C10H17NO3/c1-7(12)11-9-6-4-3-5-8(9)10(13)14-2/h8-9H,3-6H2,1-2H3,(H,11,12)/t8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=18.7734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.25 g/mol  logS: -1.20449  SlogP: 0.8543  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.208117  Sterimol/B1: 2.24271  Sterimol/B2: 2.52878  Sterimol/B3: 4.08137
  Sterimol/B4: 7.80744  Sterimol/L: 10.9242 
 
 Surface and Volume Properties
  Accessible surface: 414.16  Positive charged surface: 309.815  Negative charged surface: 104.345  Volume: 198.25
  Hydrophobic surface: 353.577  Hydrophilic surface: 60.583
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.