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ACROSORGANICS-ZINC02569589

 MMsINC code: MMs00014583
Type: Neutral
Formula: C4H12NO3P
SMILES:   P(O)(O)(=O)C(N)C(C)C
InChI:   InChI=1/C4H12NO3P/c1-3(2)4(5)9(6,7)8/h3-4H,5H2,1-2H3,(H2,6,7,8)/t4-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.00563 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.118 g/mol  logS: 0.77614  SlogP: -0.9653  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194434  Sterimol/B1: 2.00691  Sterimol/B2: 2.72216  Sterimol/B3: 3.77206
  Sterimol/B4: 5.6287  Sterimol/L: 9.40446 
 
 Surface and Volume Properties
  Accessible surface: 317.516  Positive charged surface: 208.927  Negative charged surface: 108.589  Volume: 134
  Hydrophobic surface: 110.367  Hydrophilic surface: 207.149
 
 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.