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DSC-ZINC04352599

 MMsINC code: MMs01221814
Type: Neutral
Formula: C19H30O
SMILES:   OC1CC2CCC3C(CCC4(C3CC=C4)C)C2(CC1)C
InChI:   InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16+,17+,18-,19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=158.876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.448 g/mol  logS: -6.08656  SlogP: 4.5561  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188204  Sterimol/B1: 2.2783  Sterimol/B2: 3.60135  Sterimol/B3: 4.34071
  Sterimol/B4: 6.36375  Sterimol/L: 13.3798 
 
 Surface and Volume Properties
  Accessible surface: 471.918  Positive charged surface: 358.417  Negative charged surface: 113.501  Volume: 292.5
  Hydrophobic surface: 374.074  Hydrophilic surface: 97.844
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 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.