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PUBCHEM-ZINC06046733

 MMsINC code: MMs03512983
Type: Neutral
Formula: C10H17NO3
SMILES:   O(C(=O)CNC(=O)C1CCCC1)CC
InChI:   InChI=1/C10H17NO3/c1-2-14-9(12)7-11-10(13)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,11,13)

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Potential Energy
Epot(MMFF94)=25.1564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.25 g/mol  logS: -1.83779  SlogP: 0.8559  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0347644  Sterimol/B1: 2.60073  Sterimol/B2: 3.3263  Sterimol/B3: 3.47201
  Sterimol/B4: 3.6628  Sterimol/L: 15.5064 
 
 Surface and Volume Properties
  Accessible surface: 443.321  Positive charged surface: 332.447  Negative charged surface: 110.874  Volume: 201.75
  Hydrophobic surface: 333.184  Hydrophilic surface: 110.137
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.