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ENAMINE-ZINC03216963

 MMsINC code: MMs01310703
Type: Neutral
Formula: C18H30NO4P
SMILES:   P(OCCC)(OCCC)(=O)C(NC(=O)C(C)(C)C)c1ccccc1
InChI:   InChI=1/C18H30NO4P/c1-6-13-22-24(21,23-14-7-2)16(15-11-9-8-10-12-15)19-17(20)18(3,4)5/h8-12,16H,6-7,13-14H2,1-5H3,(H,19,20)/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=64.0843 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.415 g/mol  logS: -3.10321  SlogP: 3.9191  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.268275  Sterimol/B1: 2.2075  Sterimol/B2: 3.42249  Sterimol/B3: 6.34697
  Sterimol/B4: 10.5372  Sterimol/L: 15.4543 
 
 Surface and Volume Properties
  Accessible surface: 658.313  Positive charged surface: 441.185  Negative charged surface: 217.128  Volume: 360.5
  Hydrophobic surface: 518.529  Hydrophilic surface: 139.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.