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NCID-ZINC01654098

 MMsINC code: MMs02292936
Type: Neutral
Formula: C10H22N+
SMILES:   [NH2+]1CC(CC1)(C(C)C)C(C)C
InChI:   InChI=1/C10H21N/c1-8(2)10(9(3)4)5-6-11-7-10/h8-9,11H,5-7H2,1-4H3/p+1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.7297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.293 g/mol  logS: -2.34989  SlogP: 1.2519  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.412063  Sterimol/B1: 3.05908  Sterimol/B2: 3.92192  Sterimol/B3: 4.09844
  Sterimol/B4: 4.81527  Sterimol/L: 9.76643 
 
 Surface and Volume Properties
  Accessible surface: 365.27  Positive charged surface: 295.795  Negative charged surface: 69.475  Volume: 192.375
  Hydrophobic surface: 248.434  Hydrophilic surface: 116.836
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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


MMs02292937
NCID-ZINC01654098