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NCID-ZINC04975261

 MMsINC code: MMs02423228
Type: Neutral
Formula: C10H20N+
SMILES:   [NH3+]C1CC2CC(C1C)C2(C)C
InChI:   InChI=1/C10H19N/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9H,4-5,11H2,1-3H3/p+1/t6-,7-,8+,9+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.0715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.277 g/mol  logS: -2.37404  SlogP: 1.299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.342806  Sterimol/B1: 2.48492  Sterimol/B2: 3.3079  Sterimol/B3: 4.16228
  Sterimol/B4: 5.77662  Sterimol/L: 9.87776 
 
 Surface and Volume Properties
  Accessible surface: 359.518  Positive charged surface: 239.107  Negative charged surface: 54.0743  Volume: 183
  Hydrophobic surface: 261.553  Hydrophilic surface: 97.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 4
 
 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


MMs02423229
NCID-ZINC04975261