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NCID-ZINC01620325

 MMsINC code: MMs02268552
Type: Neutral
Formula: C9H24N2O6P2
SMILES:   P(O)(O)(=O)C(NCC)CCCC(P(O)(O)=O)NCC
InChI:   InChI=1/C9H24N2O6P2/c1-3-10-8(18(12,13)14)6-5-7-9(11-4-2)19(15,16)17/h8-11H,3-7H2,1-2H3,(H2,12,13,14)(H2,15,16,17)/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=-20.1856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.247 g/mol  logS: 1.19343  SlogP: -1.7571  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0645847  Sterimol/B1: 3.05291  Sterimol/B2: 3.77343  Sterimol/B3: 4.28799
  Sterimol/B4: 5.93867  Sterimol/L: 15.2531 
 
 Surface and Volume Properties
  Accessible surface: 546.585  Positive charged surface: 368.941  Negative charged surface: 177.643  Volume: 276
  Hydrophobic surface: 250.186  Hydrophilic surface: 296.399
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 8  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.