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CHEMBLOCK-ZINC04413173

 MMsINC code: MMs00550842
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)=50.2977 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: 0.119416  Sterimol/B1: 2.37083  Sterimol/B2: 4.07474  Sterimol/B3: 4.78972
  Sterimol/B4: 4.86636  Sterimol/L: 13.4992 
 
 Surface and Volume Properties
  Accessible surface: 450.045  Positive charged surface: 329.996  Negative charged surface: 120.049  Volume: 220.5
  Hydrophobic surface: 303.937  Hydrophilic surface: 146.108
 
 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


MMs00550843
CHEMBLOCK-ZINC04413173