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ASINEX-ZINC00353518

 MMsINC code: MMs00123088
Type: Neutral
Formula: C17H30O2
SMILES:   OC(=O)CC1CCC(CC1)C1CCC(CC1)CCC
InChI:   InChI=1/C17H30O2/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(7-11-16)12-17(18)19/h13-16H,2-12H2,1H3,(H,18,19)/t13-,14-,15-,16+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.1212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.425 g/mol  logS: -6.80451  SlogP: 4.874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0776212  Sterimol/B1: 3.28822  Sterimol/B2: 3.81602  Sterimol/B3: 4.13565
  Sterimol/B4: 4.42045  Sterimol/L: 16.507 
 
 Surface and Volume Properties
  Accessible surface: 526.567  Positive charged surface: 403.465  Negative charged surface: 123.102  Volume: 289.625
  Hydrophobic surface: 414.168  Hydrophilic surface: 112.399
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00123089
ASINEX-ZINC00353518