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PUBCHEM-ZINC06168532

 MMsINC code: MMs03577023
Type: Neutral
Formula: C24H35NO2
SMILES:   O(CC(=O)NC(C)C12CC3CC(C1)CC(C2)C3)c1ccc(cc1)C(CC)C
InChI:   InChI=1/C24H35NO2/c1-4-16(2)21-5-7-22(8-6-21)27-15-23(26)25-17(3)24-12-18-9-19(13-24)11-20(10-18)14-24/h5-8,16-20H,4,9-15H2,1-3H3,(H,25,26)/t16-,17+,18-,19+,20-,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.0791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.549 g/mol  logS: -7.67234  SlogP: 5.3  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0447762  Sterimol/B1: 2.92599  Sterimol/B2: 3.40045  Sterimol/B3: 4.27649
  Sterimol/B4: 6.56985  Sterimol/L: 19.842 
 
 Surface and Volume Properties
  Accessible surface: 671.296  Positive charged surface: 482.222  Negative charged surface: 189.074  Volume: 389
  Hydrophobic surface: 569.579  Hydrophilic surface: 101.717
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.