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PUBCHEM-ZINC04217454

 MMsINC code: MMs03102434
Type: Neutral
Formula: C14H25N
SMILES:   NC(CC12CC3CC(C1)CC(C2)C3)(C)C
InChI:   InChI=1/C14H25N/c1-13(2,15)9-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,3-9,15H2,1-2H3/t10-,11+,12-,14-

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Potential Energy
Epot(MMFF94)=97.5076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.361 g/mol  logS: -4.79616  SlogP: 3.3302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.285304  Sterimol/B1: 3.24351  Sterimol/B2: 3.5309  Sterimol/B3: 4.17711
  Sterimol/B4: 4.52513  Sterimol/L: 11.3227 
 
 Surface and Volume Properties
  Accessible surface: 398.546  Positive charged surface: 327.009  Negative charged surface: 71.5378  Volume: 228.5
  Hydrophobic surface: 328.91  Hydrophilic surface: 69.636
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs03102435
PUBCHEM-ZINC04217454