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ACDBLOCKS-ZINC03734659

 MMsINC code: MMs00001607
Type: Neutral
Formula: C10H22N+
SMILES:   [NH2+]1CCCCC1C(CC)CC
InChI:   InChI=1/C10H21N/c1-3-9(4-2)10-7-5-6-8-11-10/h9-11H,3-8H2,1-2H3/p+1/t10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.8045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.293 g/mol  logS: -1.84843  SlogP: 1.5385  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139146  Sterimol/B1: 2.28696  Sterimol/B2: 2.42638  Sterimol/B3: 3.8171
  Sterimol/B4: 5.6301  Sterimol/L: 11.2528 
 
 Surface and Volume Properties
  Accessible surface: 383.525  Positive charged surface: 315.968  Negative charged surface: 67.5571  Volume: 194
  Hydrophobic surface: 316.639  Hydrophilic surface: 66.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 1
 
 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


MMs00001608
ACDBLOCKS-ZINC03734659