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NCID-ZINC01529316

 MMsINC code: MMs02218739
Type: Neutral
Formula: C10H18N2O3
SMILES:   O=C1NC(CCCCCC(O)=O)C(N1)C
InChI:   InChI=1/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=-6.42275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -1.07867  SlogP: 1.0914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0555094  Sterimol/B1: 2.36139  Sterimol/B2: 2.54451  Sterimol/B3: 3.49764
  Sterimol/B4: 6.10292  Sterimol/L: 15.2308 
 
 Surface and Volume Properties
  Accessible surface: 452.961  Positive charged surface: 322.557  Negative charged surface: 130.404  Volume: 210.75
  Hydrophobic surface: 226.683  Hydrophilic surface: 226.278
 
 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


MMs02218740
NCID-ZINC01529316