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ACDBLOCKS-ZINC03732260

 MMsINC code: MMs00001453
Type: Neutral
Formula: C10H20N2
SMILES:   N1CCCC1CN1CCCCC1
InChI:   InChI=1/C10H20N2/c1-2-7-12(8-3-1)9-10-5-4-6-11-10/h10-11H,1-9H2/t10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.2497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.284 g/mol  logS: -0.5619  SlogP: 1.2243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142658  Sterimol/B1: 3.34607  Sterimol/B2: 3.37212  Sterimol/B3: 3.51748
  Sterimol/B4: 4.03203  Sterimol/L: 12.2523 
 
 Surface and Volume Properties
  Accessible surface: 394.498  Positive charged surface: 342.399  Negative charged surface: 52.0989  Volume: 192.125
  Hydrophobic surface: 375.49  Hydrophilic surface: 19.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00001454
ACDBLOCKS-ZINC03732260