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PUBCHEM-ZINC05688790

 MMsINC code: MMs03349180
Type: Neutral
Formula: C18H34N2
SMILES:   N(CCC12CC3(CC(C1)CC(C2)C3)CCN(C)C)(C)C
InChI:   InChI=1/C18H34N2/c1-19(2)7-5-17-10-15-9-16(11-17)13-18(12-15,14-17)6-8-20(3)4/h15-16H,5-14H2,1-4H3/t15-,16+,17-,18+

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Potential Energy
Epot(MMFF94)=76.6876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.484 g/mol  logS: -4.00904  SlogP: 3.4764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0841887  Sterimol/B1: 2.11192  Sterimol/B2: 3.80193  Sterimol/B3: 3.94984
  Sterimol/B4: 6.53311  Sterimol/L: 17.0298 
 
 Surface and Volume Properties
  Accessible surface: 541.385  Positive charged surface: 502.763  Negative charged surface: 38.6225  Volume: 316.375
  Hydrophobic surface: 535.559  Hydrophilic surface: 5.826
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03349181
PUBCHEM-ZINC05688790