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NCID-ZINC01687952

 MMsINC code: MMs02320575
Type: Neutral
Formula: C13H25NO3
SMILES:   O(C(=O)CCCCC(=O)N(C(C)C)C(C)C)C
InChI:   InChI=1/C13H25NO3/c1-10(2)14(11(3)4)12(15)8-6-7-9-13(16)17-5/h10-11H,6-9H2,1-5H3

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Potential Energy
Epot(MMFF94)=65.5639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.347 g/mol  logS: -1.54151  SlogP: 2.3652  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0756917  Sterimol/B1: 2.46761  Sterimol/B2: 2.5312  Sterimol/B3: 4.67906
  Sterimol/B4: 5.63198  Sterimol/L: 16.7513 
 
 Surface and Volume Properties
  Accessible surface: 511.675  Positive charged surface: 378.074  Negative charged surface: 133.601  Volume: 263.25
  Hydrophobic surface: 370.94  Hydrophilic surface: 140.735
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.