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ENAMINE-ZINC03176928

 MMsINC code: MMs01296114
Type: Neutral
Formula: C10H18O6P2
SMILES:   P(O)(O)(=O)C12CC3(P(O)(O)=O)CC(C1)CC(C2)C3
InChI:   InChI=1/C10H18O6P2/c11-17(12,13)9-2-7-1-8(4-9)5-10(3-7,6-9)18(14,15)16/h7-8H,1-6H2,(H2,11,12,13)(H2,14,15,16)/t7-,8+,9+,10-

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Potential Energy
Epot(MMFF94)=-56.3929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.196 g/mol  logS: -0.37475  SlogP: -0.7072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.332369  Sterimol/B1: 2.11412  Sterimol/B2: 3.74305  Sterimol/B3: 3.74318
  Sterimol/B4: 6.41141  Sterimol/L: 12.3269 
 
 Surface and Volume Properties
  Accessible surface: 426.701  Positive charged surface: 265.285  Negative charged surface: 161.415  Volume: 232.5
  Hydrophobic surface: 192.125  Hydrophilic surface: 234.576
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.