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NCID-ZINC01682902

 MMsINC code: MMs02316540
Type: Neutral
Formula: C15H28N2
SMILES:   N(CCCN1CC2C(CC=CC2)C1)(CC)CC
InChI:   InChI=1/C15H28N2/c1-3-16(4-2)10-7-11-17-12-14-8-5-6-9-15(14)13-17/h5-6,14-15H,3-4,7-13H2,1-2H3/t14-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=36.4953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.403 g/mol  logS: -0.96251  SlogP: 2.6163  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0407773  Sterimol/B1: 2.54556  Sterimol/B2: 2.55592  Sterimol/B3: 3.50064
  Sterimol/B4: 6.30212  Sterimol/L: 15.799 
 
 Surface and Volume Properties
  Accessible surface: 524.458  Positive charged surface: 428.849  Negative charged surface: 95.6092  Volume: 275.75
  Hydrophobic surface: 446.06  Hydrophilic surface: 78.398
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs02316541
NCID-ZINC01682902