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ASINEX-ZINC05002677

 MMsINC code: MMs00432060
Type: Neutral
Formula: C17H32N+
SMILES:   [NH2+](C(\C=C\C=1C(CCCC=1C)(C)C)C)CCCC
InChI:   InChI=1/C17H31N/c1-6-7-13-18-15(3)10-11-16-14(2)9-8-12-17(16,4)5/h10-11,15,18H,6-9,12-13H2,1-5H3/p+1/b11-10+/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=19.5941 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.45 g/mol  logS: -4.65659  SlogP: 3.8212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0689244  Sterimol/B1: 2.91724  Sterimol/B2: 3.11625  Sterimol/B3: 4.47344
  Sterimol/B4: 6.57652  Sterimol/L: 16.6134 
 
 Surface and Volume Properties
  Accessible surface: 562.735  Positive charged surface: 446.058  Negative charged surface: 116.677  Volume: 307.5
  Hydrophobic surface: 472.328  Hydrophilic surface: 90.407
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 1
 
 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


MMs00432061
ASINEX-ZINC05002677