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PUBCHEM-ZINC03918137

 MMsINC code: MMs03084586
Type: Neutral
Formula: C10H21Cl2N2O7P
SMILES:   ClCCNP(OC1OC(CO)C(O)C(O)C1O)(=O)NCCCl
InChI:   InChI=1/C10H21Cl2N2O7P/c11-1-3-13-22(19,14-4-2-12)21-10-9(18)8(17)7(16)6(5-15)20-10/h6-10,15-18H,1-5H2,(H2,13,14,19)/t6-,7-,8+,9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=14.7735 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.165 g/mol  logS: 0.35599  SlogP: -2.5024  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.131858  Sterimol/B1: 3.60352  Sterimol/B2: 4.23911  Sterimol/B3: 4.78358
  Sterimol/B4: 7.21268  Sterimol/L: 15.7144 
 
 Surface and Volume Properties
  Accessible surface: 579.942  Positive charged surface: 341.765  Negative charged surface: 238.178  Volume: 303.75
  Hydrophobic surface: 210.779  Hydrophilic surface: 369.163
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03084587
PUBCHEM-ZINC03918137