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AURORAFEINCHEMIE-ZINC01688929

 MMsINC code: MMs00448782
Type: Neutral
Formula: C10H17N2O3P
SMILES:   P(OCC)(OCC)(=O)NNc1ccccc1
InChI:   InChI=1/C10H17N2O3P/c1-3-14-16(13,15-4-2)12-11-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=34.4086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.231 g/mol  logS: -1.76688  SlogP: 1.714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125039  Sterimol/B1: 2.13204  Sterimol/B2: 2.53703  Sterimol/B3: 4.63958
  Sterimol/B4: 7.35471  Sterimol/L: 13.9932 
 
 Surface and Volume Properties
  Accessible surface: 478.307  Positive charged surface: 306.059  Negative charged surface: 172.249  Volume: 231.875
  Hydrophobic surface: 362.46  Hydrophilic surface: 115.847
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.