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NCID-ZINC05160269

 MMsINC code: MMs02445228
Type: Neutral
Formula: C23H37NO3
SMILES:   O(C(=O)C1(C2CCC=3C(CCC(C=3)(C(NC(=O)C)C)C)C2(CCC1)C)C)C
InChI:   InChI=1/C23H37NO3/c1-15(24-16(2)25)21(3)13-10-18-17(14-21)8-9-19-22(18,4)11-7-12-23(19,5)20(26)27-6/h14-15,18-19H,7-13H2,1-6H3,(H,24,25)/t15-,18-,19-,21+,22-,23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=175.23 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.553 g/mol  logS: -5.09533  SlogP: 4.6332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17434  Sterimol/B1: 2.30148  Sterimol/B2: 4.30675  Sterimol/B3: 6.05281
  Sterimol/B4: 6.33249  Sterimol/L: 13.9296 
 
 Surface and Volume Properties
  Accessible surface: 616.149  Positive charged surface: 445.837  Negative charged surface: 170.313  Volume: 385.125
  Hydrophobic surface: 496.199  Hydrophilic surface: 119.95
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.