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IBS-ZINC04338789

 MMsINC code: MMs01885284
Type: Neutral
Formula: C14H26N2
SMILES:   NC(C)C12CC3(CC(C1)CC(C2)C3)C(N)C
InChI:   InChI=1/C14H26N2/c1-9(15)13-4-11-3-12(5-13)7-14(6-11,8-13)10(2)16/h9-12H,3-8,15-16H2,1-2H3/t9-,10+,11-,12+,13+,14-

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Potential Energy
Epot(MMFF94)=59.6573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.376 g/mol  logS: -2.27961  SlogP: 2.2674  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.234428  Sterimol/B1: 3.45329  Sterimol/B2: 4.02337  Sterimol/B3: 4.23784
  Sterimol/B4: 4.61738  Sterimol/L: 12.2452 
 
 Surface and Volume Properties
  Accessible surface: 418.335  Positive charged surface: 336.216  Negative charged surface: 82.1197  Volume: 242.25
  Hydrophobic surface: 287.128  Hydrophilic surface: 131.207
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01885285
IBS-ZINC04338789