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PUBCHEM-ZINC03646132

 MMsINC code: MMs03032865
Type: Neutral
Formula: C8H14NO7P
SMILES:   P(OC(=O)C1(N)CC(CCC1)C(O)=O)(O)(O)=O
InChI:   InChI=1/C8H14NO7P/c9-8(7(12)16-17(13,14)15)3-1-2-5(4-8)6(10)11/h5H,1-4,9H2,(H,10,11)(H2,13,14,15)/t5-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=-46.272 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.174 g/mol  logS: 0.15929  SlogP: -1.4756  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114186  Sterimol/B1: 2.45448  Sterimol/B2: 3.40133  Sterimol/B3: 3.66631
  Sterimol/B4: 6.08385  Sterimol/L: 13.985 
 
 Surface and Volume Properties
  Accessible surface: 436.853  Positive charged surface: 266.312  Negative charged surface: 170.541  Volume: 207.25
  Hydrophobic surface: 138.404  Hydrophilic surface: 298.449
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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


MMs03032866
PUBCHEM-ZINC03646132