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CHEMBLOCK-ZINC04413171

 MMsINC code: MMs00550840
Type: Neutral
Formula: C9H18NO4P
SMILES:   P(OCC)(=O)(CN1CCCC1C(O)=O)C
InChI:   InChI=1/C9H18NO4P/c1-3-14-15(2,13)7-10-6-4-5-8(10)9(11)12/h8H,3-7H2,1-2H3,(H,11,12)/t8-,15+/m1/s1

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Potential Energy
Epot(MMFF94)=71.9669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.22 g/mol  logS: 0.16436  SlogP: 0.3671  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139959  Sterimol/B1: 2.5312  Sterimol/B2: 4.50021  Sterimol/B3: 4.54363
  Sterimol/B4: 4.86912  Sterimol/L: 13.5207 
 
 Surface and Volume Properties
  Accessible surface: 455.868  Positive charged surface: 326.149  Negative charged surface: 129.719  Volume: 216.875
  Hydrophobic surface: 305.307  Hydrophilic surface: 150.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00550841
CHEMBLOCK-ZINC04413171