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NCID-ZINC05160268

 MMsINC code: MMs02445227
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+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=172.712 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: 0.216021  Sterimol/B1: 2.9803  Sterimol/B2: 4.31075  Sterimol/B3: 6.37064
  Sterimol/B4: 6.70702  Sterimol/L: 15.5896 
 
 Surface and Volume Properties
  Accessible surface: 621.233  Positive charged surface: 448.883  Negative charged surface: 172.35  Volume: 383.75
  Hydrophobic surface: 499.111  Hydrophilic surface: 122.122
 
 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.