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NCID-ZINC01618145

 MMsINC code: MMs02267058
Type: Neutral
Formula: C10H19NO3
SMILES:   OC(C(C\C=C\C)C)C(NC)C(O)=O
InChI:   InChI=1/C10H19NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h4-5,7-9,11-12H,6H2,1-3H3,(H,13,14)/b5-4+/t7-,8+,9-/m1/s1

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Potential Energy
Epot(MMFF94)=47.1669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -0.88977  SlogP: 0.6222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138244  Sterimol/B1: 2.94504  Sterimol/B2: 3.94861  Sterimol/B3: 4.0036
  Sterimol/B4: 4.30173  Sterimol/L: 13.2244 
 
 Surface and Volume Properties
  Accessible surface: 436.084  Positive charged surface: 306.637  Negative charged surface: 129.447  Volume: 210.375
  Hydrophobic surface: 267.858  Hydrophilic surface: 168.226
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.