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NCID-ZINC05922755

 MMsINC code: MMs02511319
Type: Neutral
Formula: C15H22O4
SMILES:   O1C2OC3(OC24C(CCC(C4CC3)C)C(=C)C1O)C
InChI:   InChI=1/C15H22O4/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-15/h8,10-13,16H,2,4-7H2,1,3H3/t8-,10+,11+,12+,13-,14-,15-/m1/s1

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Potential Energy
Epot(MMFF94)=62.7947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.337 g/mol  logS: -2.73206  SlogP: 2.1752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.275826  Sterimol/B1: 2.48141  Sterimol/B2: 3.86409  Sterimol/B3: 3.94743
  Sterimol/B4: 8.43431  Sterimol/L: 10.5433 
 
 Surface and Volume Properties
  Accessible surface: 447.374  Positive charged surface: 326.555  Negative charged surface: 120.819  Volume: 255.25
  Hydrophobic surface: 305.724  Hydrophilic surface: 141.65
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.