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IBS-ZINC02160932

 MMsINC code: MMs01797637
Type: Neutral
Formula: C7H16NO4P
SMILES:   P(O)(=O)(CC(C(O)=O)C)CCCN
InChI:   InChI=1/C7H16NO4P/c1-6(7(9)10)5-13(11,12)4-2-3-8/h6H,2-5,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=-1.5174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.182 g/mol  logS: 1.0157  SlogP: -0.7439  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0713095  Sterimol/B1: 2.06768  Sterimol/B2: 2.68984  Sterimol/B3: 4.05413
  Sterimol/B4: 4.95971  Sterimol/L: 14.5442 
 
 Surface and Volume Properties
  Accessible surface: 419.942  Positive charged surface: 294.655  Negative charged surface: 125.287  Volume: 188.5
  Hydrophobic surface: 178.938  Hydrophilic surface: 241.004
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs01797638
IBS-ZINC02160932