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ENAMINE-ZINC03459389

 MMsINC code: MMs01456207
Type: Neutral
Formula: C18H31N3O3
SMILES:   O=C1N(CC(=O)NC2CCCCC2C)C(=O)NC1(CCC)CCC
InChI:   InChI=1/C18H31N3O3/c1-4-10-18(11-5-2)16(23)21(17(24)20-18)12-15(22)19-14-9-7-6-8-13(14)3/h13-14H,4-12H2,1-3H3,(H,19,22)(H,20,24)/t13-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=20.492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.464 g/mol  logS: -3.96837  SlogP: 2.5721  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109759  Sterimol/B1: 2.06171  Sterimol/B2: 4.31787  Sterimol/B3: 4.56192
  Sterimol/B4: 9.37288  Sterimol/L: 15.8609 
 
 Surface and Volume Properties
  Accessible surface: 616.223  Positive charged surface: 443.482  Negative charged surface: 172.741  Volume: 342.625
  Hydrophobic surface: 455.445  Hydrophilic surface: 160.778
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.