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MAYBRIDGE-ZINC04288810

 MMsINC code: MMs02162982
Type: Neutral
Formula: C10H20N+
SMILES:   [NH3+]C1C(C2CC1(CC2)C)(C)C
InChI:   InChI=1/C10H19N/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8H,4-6,11H2,1-3H3/p+1/t7-,8-,10+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.8448 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.277 g/mol  logS: -1.43369  SlogP: 1.4431  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.528135  Sterimol/B1: 2.41774  Sterimol/B2: 3.75425  Sterimol/B3: 4.40806
  Sterimol/B4: 4.94099  Sterimol/L: 9.20351 
 
 Surface and Volume Properties
  Accessible surface: 350.761  Positive charged surface: 278.662  Negative charged surface: 72.0991  Volume: 180.375
  Hydrophobic surface: 259.441  Hydrophilic surface: 91.32
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 3
 
 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


MMs02162983
MAYBRIDGE-ZINC04288810