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NCID-ZINC04758128

 MMsINC code: MMs02400460
Type: Neutral
Formula: C24H32O2
SMILES:   Oc1c2c(cc(c1)C)CC1C3C(CCC12C)C1(C(CC(=O)CC1)CC3)C
InChI:   InChI=1/C24H32O2/c1-14-10-15-12-20-18-5-4-16-13-17(25)6-8-23(16,2)19(18)7-9-24(20,3)22(15)21(26)11-14/h10-11,16,18-20,26H,4-9,12-13H2,1-3H3/t16-,18+,19-,20-,23-,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=147.101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.518 g/mol  logS: -7.37401  SlogP: 5.32609  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.069587  Sterimol/B1: 3.11006  Sterimol/B2: 3.72144  Sterimol/B3: 3.89219
  Sterimol/B4: 5.35172  Sterimol/L: 17.5042 
 
 Surface and Volume Properties
  Accessible surface: 566.462  Positive charged surface: 385.529  Negative charged surface: 180.933  Volume: 359
  Hydrophobic surface: 459.63  Hydrophilic surface: 106.832
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.