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PUBCHEM-ZINC03646131

 MMsINC code: MMs03032863
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)=-32.387 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: 0.256073  Sterimol/B1: 2.18924  Sterimol/B2: 3.17028  Sterimol/B3: 5.18249
  Sterimol/B4: 5.88789  Sterimol/L: 11.4406 
 
 Surface and Volume Properties
  Accessible surface: 432.415  Positive charged surface: 259.145  Negative charged surface: 173.27  Volume: 206.5
  Hydrophobic surface: 134.284  Hydrophilic surface: 298.131
 
 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


MMs03032864
PUBCHEM-ZINC03646131