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PUBCHEM-ZINC06469154

 MMsINC code: MMs03750724
Type: Neutral
Formula: C10H18N3O5PS
SMILES:   S1C(CO[PH](O)=O)C(O)CC1N1CC(C)C(=NC1=O)N
InChI:   InChI=1/C10H18N3O5PS/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-18-19(16)17/h5-8,14,19H,2-4H2,1H3,(H,16,17)(H2,11,12,15)/t5-,6-,7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=10.4206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.31 g/mol  logS: -1.62661  SlogP: -1.0638  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0590439  Sterimol/B1: 2.8226  Sterimol/B2: 3.56915  Sterimol/B3: 3.58176
  Sterimol/B4: 4.9761  Sterimol/L: 16.6304 
 
 Surface and Volume Properties
  Accessible surface: 516.349  Positive charged surface: 327.289  Negative charged surface: 189.061  Volume: 266.5
  Hydrophobic surface: 229.098  Hydrophilic surface: 287.251
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.