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NCID-ZINC04537578

 MMsINC code: MMs02390652
Type: Neutral
Formula: C24H34O4
SMILES:   O1C2(C(OC1(C)C)CC1C3C(CCC12C)C1(C(=CC(=O)CC1)CC3)C)C(=O)C
InChI:   InChI=1/C24H34O4/c1-14(25)24-20(27-21(2,3)28-24)13-19-17-7-6-15-12-16(26)8-10-22(15,4)18(17)9-11-23(19,24)5/h12,17-20H,6-11,13H2,1-5H3/t17-,18+,19-,20+,22+,23-,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=200.25 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.532 g/mol  logS: -5.94805  SlogP: 4.6075  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.12889  Sterimol/B1: 2.02118  Sterimol/B2: 3.2368  Sterimol/B3: 4.64011
  Sterimol/B4: 7.00011  Sterimol/L: 15.8762 
 
 Surface and Volume Properties
  Accessible surface: 581.37  Positive charged surface: 376.364  Negative charged surface: 205.006  Volume: 381.875
  Hydrophobic surface: 433.489  Hydrophilic surface: 147.881
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
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Ions/Tautomers related molecules: no related molecules available.