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ENAMINE-ZINC03559706

 MMsINC code: MMs01508289
Type: Neutral
Formula: C17H26N2O4
SMILES:   OC1CCC(NC(=O)CCN2C(=O)C3C(CCCC3)C2=O)CC1
InChI:   InChI=1/C17H26N2O4/c20-12-7-5-11(6-8-12)18-15(21)9-10-19-16(22)13-3-1-2-4-14(13)17(19)23/h11-14,20H,1-10H2,(H,18,21)/t11-,12-,13-,14+

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Potential Energy
Epot(MMFF94)=7.01037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.405 g/mol  logS: -2.09692  SlogP: 0.9714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.060336  Sterimol/B1: 2.6498  Sterimol/B2: 2.99865  Sterimol/B3: 5.28658
  Sterimol/B4: 5.43184  Sterimol/L: 17.6322 
 
 Surface and Volume Properties
  Accessible surface: 575.867  Positive charged surface: 427.759  Negative charged surface: 148.108  Volume: 309.875
  Hydrophobic surface: 421.031  Hydrophilic surface: 154.836
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.