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ENAMINE-ZINC03199801

 MMsINC code: MMs01303923
Type: Ionized
Formula: C15H27N2O2+
SMILES:   O1CC[NH+](CC1)CC(=O)NC(C)C1C2CC(C1)CC2
InChI:   InChI=1/C15H26N2O2/c1-11(14-9-12-2-3-13(14)8-12)16-15(18)10-17-4-6-19-7-5-17/h11-14H,2-10H2,1H3,(H,16,18)/p+1/t11-,12-,13+,14+/m1/s1

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Potential Energy
Epot(MMFF94)=77.157 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.393 g/mol  logS: -2.84285  SlogP: -0.1576  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.072922  Sterimol/B1: 1.99543  Sterimol/B2: 2.9714  Sterimol/B3: 4.01386
  Sterimol/B4: 6.23499  Sterimol/L: 15.5526 
 
 Surface and Volume Properties
  Accessible surface: 523.154  Positive charged surface: 431.911  Negative charged surface: 91.2426  Volume: 282.625
  Hydrophobic surface: 435.384  Hydrophilic surface: 87.77
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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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MMs01303922
ENAMINE-ZINC03199801