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ACDBLOCKS-ZINC02582624

 MMsINC code: MMs00001046
Type: Neutral
Formula: C9H19N
SMILES:   N1CCCCC1CCCC
InChI:   InChI=1/C9H19N/c1-2-3-6-9-7-4-5-8-10-9/h9-10H,2-8H2,1H3/t9-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-2.17138 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 141.258 g/mol  logS: -1.67105  SlogP: 2.3187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0741498  Sterimol/B1: 2.79601  Sterimol/B2: 3.0353  Sterimol/B3: 3.45949
  Sterimol/B4: 4.24877  Sterimol/L: 12.5 
 
 Surface and Volume Properties
  Accessible surface: 372.67  Positive charged surface: 309.296  Negative charged surface: 63.3741  Volume: 172.75
  Hydrophobic surface: 333.375  Hydrophilic surface: 39.295
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  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


MMs00001047
ACDBLOCKS-ZINC02582624