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APOLLO-ZINC04293783

 MMsINC code: MMs00058862
Type: Tautomer
Formula: C10H19N
SMILES:   NC1C(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/t7-,8-,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.0691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.269 g/mol  logS: -1.45808  SlogP: 2.1599  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.535038  Sterimol/B1: 2.5178  Sterimol/B2: 3.51534  Sterimol/B3: 4.25888
  Sterimol/B4: 4.79483  Sterimol/L: 9.19976 
 
 Surface and Volume Properties
  Accessible surface: 347.726  Positive charged surface: 262.96  Negative charged surface: 84.7658  Volume: 179.875
  Hydrophobic surface: 256.263  Hydrophilic surface: 91.463
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  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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Parent related molecule:


MMs00058861
APOLLO-ZINC04293783