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ACROSORGANICS-ZINC01662386

 MMsINC code: MMs00010358
Type: Neutral
Formula: C9H18O
SMILES:   OCC1CCCCCCC1
InChI:   InChI=1/C9H18O/c10-8-9-6-4-2-1-3-5-7-9/h9-10H,1-8H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.0125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.242 g/mol  logS: -2.59281  SlogP: 2.3392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.277309  Sterimol/B1: 2.18521  Sterimol/B2: 3.57557  Sterimol/B3: 4.22317
  Sterimol/B4: 4.4331  Sterimol/L: 9.68122 
 
 Surface and Volume Properties
  Accessible surface: 336.342  Positive charged surface: 267.486  Negative charged surface: 68.8559  Volume: 161.375
  Hydrophobic surface: 286.852  Hydrophilic surface: 49.49
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.