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PUBCHEM-ZINC04651160

 MMsINC code: MMs03146362
Type: Neutral
Formula: C24H35NO2
SMILES:   O(C(CC)C(=O)NCCC12CC3CC(C1)CC(C2)C3)c1cc(C)c(cc1)C
InChI:   InChI=1/C24H35NO2/c1-4-22(27-21-6-5-16(2)17(3)9-21)23(26)25-8-7-24-13-18-10-19(14-24)12-20(11-18)15-24/h5-6,9,18-20,22H,4,7-8,10-15H2,1-3H3,(H,25,26)/t18-,19+,20-,22-,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.146 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.549 g/mol  logS: -7.94449  SlogP: 5.18354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0555071  Sterimol/B1: 2.46933  Sterimol/B2: 3.17133  Sterimol/B3: 4.70745
  Sterimol/B4: 7.12359  Sterimol/L: 19.7044 
 
 Surface and Volume Properties
  Accessible surface: 673.252  Positive charged surface: 487.083  Negative charged surface: 186.169  Volume: 387
  Hydrophobic surface: 606.11  Hydrophilic surface: 67.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.