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PUBCHEM-ZINC05752270

 MMsINC code: MMs03371515
Type: Ionized
Formula: C10H20N+
SMILES:   [NH2+]1C(C2CC(CC2)C1C)(C)C
InChI:   InChI=1/C10H19N/c1-7-8-4-5-9(6-8)10(2,3)11-7/h7-9,11H,4-6H2,1-3H3/p+1/t7-,8+,9-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.6272 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.277 g/mol  logS: -1.37037  SlogP: 1.1468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.457788  Sterimol/B1: 2.28922  Sterimol/B2: 2.99835  Sterimol/B3: 3.80988
  Sterimol/B4: 6.56585  Sterimol/L: 8.98123 
 
 Surface and Volume Properties
  Accessible surface: 351.763  Positive charged surface: 277.765  Negative charged surface: 73.998  Volume: 182.25
  Hydrophobic surface: 283.975  Hydrophilic surface: 67.788
 
 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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Parent related molecule:


MMs03371514
PUBCHEM-ZINC05752270