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CHEMBRIDGE-ZINC02565426

 MMsINC code: MMs00712309
Type: Neutral
Formula: C14H26N2O3
SMILES:   O=C1NC(CCCCCC(O)=O)C(N1)CCCCC
InChI:   InChI=1/C14H26N2O3/c1-2-3-5-8-11-12(16-14(19)15-11)9-6-4-7-10-13(17)18/h11-12H,2-10H2,1H3,(H,17,18)(H2,15,16,19)/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=-6.60183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.8261  SlogP: 2.6518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.034692  Sterimol/B1: 2.48828  Sterimol/B2: 2.83042  Sterimol/B3: 3.23578
  Sterimol/B4: 7.67323  Sterimol/L: 19.9094 
 
 Surface and Volume Properties
  Accessible surface: 571.432  Positive charged surface: 425.63  Negative charged surface: 145.802  Volume: 280.75
  Hydrophobic surface: 353.281  Hydrophilic surface: 218.151
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs00712310
CHEMBRIDGE-ZINC02565426