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ACDBLOCKS-ZINC03734658

 MMsINC code: MMs00001605
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-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.1111 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: 0.214928  Sterimol/B1: 2.24724  Sterimol/B2: 2.99616  Sterimol/B3: 4.14849
  Sterimol/B4: 6.66426  Sterimol/L: 10.8675 
 
 Surface and Volume Properties
  Accessible surface: 388.733  Positive charged surface: 322.575  Negative charged surface: 66.1582  Volume: 194.5
  Hydrophobic surface: 322.524  Hydrophilic surface: 66.209
 
 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


MMs00001606
ACDBLOCKS-ZINC03734658