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PUBCHEM-ZINC04598846

 MMsINC code: MMs03139669
Type: Neutral
Formula: C17H30N2O3
SMILES:   O1CCCC1CNC(=O)CCC(=O)NC1CCCC(C)C1C
InChI:   InChI=1/C17H30N2O3/c1-12-5-3-7-15(13(12)2)19-17(21)9-8-16(20)18-11-14-6-4-10-22-14/h12-15H,3-11H2,1-2H3,(H,18,20)(H,19,21)/t12-,13-,14+,15-/m1/s1

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Potential Energy
Epot(MMFF94)=41.1411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.438 g/mol  logS: -2.58267  SlogP: 2.0027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0334958  Sterimol/B1: 1.98835  Sterimol/B2: 4.33336  Sterimol/B3: 4.49901
  Sterimol/B4: 5.02891  Sterimol/L: 19.5857 
 
 Surface and Volume Properties
  Accessible surface: 615.364  Positive charged surface: 476.367  Negative charged surface: 138.997  Volume: 321.625
  Hydrophobic surface: 485.604  Hydrophilic surface: 129.76
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.