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ACROSORGANICS-ZINC02146774

 MMsINC code: MMs00012937
Type: Neutral
Formula: C3H10NO3P
SMILES:   P(O)(O)(=O)C(N)CC
InChI:   InChI=1/C3H10NO3P/c1-2-3(4)8(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=-8.38585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 139.091 g/mol  logS: 0.97791  SlogP: -1.2113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.259743  Sterimol/B1: 2.74179  Sterimol/B2: 2.76231  Sterimol/B3: 3.81662
  Sterimol/B4: 5.22778  Sterimol/L: 8.67037 
 
 Surface and Volume Properties
  Accessible surface: 297.603  Positive charged surface: 196.361  Negative charged surface: 101.242  Volume: 117.125
  Hydrophobic surface: 97.3538  Hydrophilic surface: 200.2492
 
 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.