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CHEMBLOCK-ZINC04535794

 MMsINC code: MMs00555619
Type: Neutral
Formula: C8H19NO6P2
SMILES:   P(O)(O)(=O)C(CN1CCCCC1)CP(O)(O)=O
InChI:   InChI=1/C8H19NO6P2/c10-16(11,12)7-8(17(13,14)15)6-9-4-2-1-3-5-9/h8H,1-7H2,(H2,10,11,12)(H2,13,14,15)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=-76.4054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.189 g/mol  logS: 1.09646  SlogP: -1.9441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159184  Sterimol/B1: 3.16854  Sterimol/B2: 3.69322  Sterimol/B3: 4.57982
  Sterimol/B4: 5.23995  Sterimol/L: 12.2012 
 
 Surface and Volume Properties
  Accessible surface: 461.766  Positive charged surface: 312.561  Negative charged surface: 149.204  Volume: 236
  Hydrophobic surface: 234.213  Hydrophilic surface: 227.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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


MMs00555620
CHEMBLOCK-ZINC04535794