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PUBCHEM-ZINC06929541

 MMsINC code: MMs03905025
Type: Neutral
Formula: C15H24N2O5
SMILES:   O1CCNC(=O)C(C\C=C/CCC1=O)CC(=O)NC(CO)C
InChI:   InChI=1/C15H24N2O5/c1-11(10-18)17-13(19)9-12-5-3-2-4-6-14(20)22-8-7-16-15(12)21/h2-3,11-12,18H,4-10H2,1H3,(H,16,21)(H,17,19)/b3-2-/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=53.8397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.366 g/mol  logS: -0.40734  SlogP: -0.1108  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109993  Sterimol/B1: 2.10599  Sterimol/B2: 4.92454  Sterimol/B3: 5.31829
  Sterimol/B4: 5.40402  Sterimol/L: 14.9936 
 
 Surface and Volume Properties
  Accessible surface: 543.438  Positive charged surface: 412.609  Negative charged surface: 130.829  Volume: 298.625
  Hydrophobic surface: 360.323  Hydrophilic surface: 183.115
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.