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ENAMINE-ZINC05216253

 MMsINC code: MMs01600351
Type: Neutral
Formula: C20H30N2O4
SMILES:   O(C(=O)c1[nH]c(C)c(C(O)C)c1C)C(C(=O)NCCC=1CCCCC=1)C
InChI:   InChI=1/C20H30N2O4/c1-12-17(14(3)23)13(2)22-18(12)20(25)26-15(4)19(24)21-11-10-16-8-6-5-7-9-16/h8,14-15,22-23H,5-7,9-11H2,1-4H3,(H,21,24)/t14-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=51.9371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.47 g/mol  logS: -3.40197  SlogP: 3.33234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0375794  Sterimol/B1: 2.19374  Sterimol/B2: 2.71621  Sterimol/B3: 5.15523
  Sterimol/B4: 6.95544  Sterimol/L: 21.3665 
 
 Surface and Volume Properties
  Accessible surface: 683.807  Positive charged surface: 469.615  Negative charged surface: 214.192  Volume: 370.125
  Hydrophobic surface: 495.777  Hydrophilic surface: 188.03
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: no related molecules available.