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ENAMINE-ZINC05703337

 MMsINC code: MMs01636083
Type: Neutral
Formula: C19H30N2O2
SMILES:   O=C(N1CCCCC1)CNC(=O)CC12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C19H30N2O2/c22-17(20-13-18(23)21-4-2-1-3-5-21)12-19-9-14-6-15(10-19)8-16(7-14)11-19/h14-16H,1-13H2,(H,20,22)/t14-,15+,16-,19-

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Potential Energy
Epot(MMFF94)=65.9995 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.461 g/mol  logS: -5.12383  SlogP: 2.7216  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0558783  Sterimol/B1: 3.26851  Sterimol/B2: 3.52989  Sterimol/B3: 4.09396
  Sterimol/B4: 4.87255  Sterimol/L: 16.9794 
 
 Surface and Volume Properties
  Accessible surface: 570.821  Positive charged surface: 464.801  Negative charged surface: 106.02  Volume: 322.375
  Hydrophobic surface: 505.476  Hydrophilic surface: 65.345
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.