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IBS-ZINC02139416

 MMsINC code: MMs01794554
Type: Neutral
Formula: C20H37NO
SMILES:   O=C(N(CC(C\C=C(/CCC=C(C)C)\C)(C)C)CC(C)C)C
InChI:   InChI=1/C20H37NO/c1-16(2)10-9-11-18(5)12-13-20(7,8)15-21(19(6)22)14-17(3)4/h10,12,17H,9,11,13-15H2,1-8H3/b18-12-

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Potential Energy
Epot(MMFF94)=94.3849 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.522 g/mol  logS: -4.52025  SlogP: 5.5999  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0899508  Sterimol/B1: 3.26578  Sterimol/B2: 3.60991  Sterimol/B3: 5.13717
  Sterimol/B4: 7.24122  Sterimol/L: 17.1079 
 
 Surface and Volume Properties
  Accessible surface: 626.138  Positive charged surface: 432.484  Negative charged surface: 193.654  Volume: 361.75
  Hydrophobic surface: 520.902  Hydrophilic surface: 105.236
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.