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ACROSORGANICS-ZINC04038018

 MMsINC code: MMs00016534
Type: Neutral
Formula: C2H8NO3P
SMILES:   P(O)(O)(=O)C(N)C
InChI:   InChI=1/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=-13.4027 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 125.064 g/mol  logS: 1.17968  SlogP: -1.6014  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20086  Sterimol/B1: 2.33706  Sterimol/B2: 2.80925  Sterimol/B3: 3.62765
  Sterimol/B4: 4.53226  Sterimol/L: 7.94828 
 
 Surface and Volume Properties
  Accessible surface: 274.864  Positive charged surface: 170.875  Negative charged surface: 103.989  Volume: 101.625
  Hydrophobic surface: 66.9157  Hydrophilic surface: 207.9483
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.