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PUBCHEM-ZINC04602874

 MMsINC code: MMs03140537
Type: Neutral
Formula: C18H34N2O3
SMILES:   O(C(C)C)CCCNC(=O)CCC(=O)NC1CCCC(C)C1C
InChI:   InChI=1/C18H34N2O3/c1-13(2)23-12-6-11-19-17(21)9-10-18(22)20-16-8-5-7-14(3)15(16)4/h13-16H,5-12H2,1-4H3,(H,19,21)(H,20,22)/t14-,15-,16+/m1/s1

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Potential Energy
Epot(MMFF94)=32.1202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.481 g/mol  logS: -2.88648  SlogP: 2.6388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0239049  Sterimol/B1: 2.5102  Sterimol/B2: 2.73602  Sterimol/B3: 4.38556
  Sterimol/B4: 5.41046  Sterimol/L: 22.9375 
 
 Surface and Volume Properties
  Accessible surface: 674.464  Positive charged surface: 518.097  Negative charged surface: 156.367  Volume: 352.75
  Hydrophobic surface: 503.581  Hydrophilic surface: 170.883
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.