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SIAL-ZINC00632418

 MMsINC code: MMs03913365
Type: Neutral
Formula: C23H26N2O4
SMILES:   OC1Cc2c(cccc2)C1NC(=O)C(C(=O)NC1c2c(CC1O)cccc2)(C)C
InChI:   InChI=1/C23H26N2O4/c1-23(2,21(28)24-19-15-9-5-3-7-13(15)11-17(19)26)22(29)25-20-16-10-6-4-8-14(16)12-18(20)27/h3-10,17-20,26-27H,11-12H2,1-2H3,(H,24,28)(H,25,29)/t17-,18-,19-,20+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.471 g/mol  logS: -3.7196  SlogP: 1.75254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0521579  Sterimol/B1: 1.99106  Sterimol/B2: 3.22342  Sterimol/B3: 3.96087
  Sterimol/B4: 8.30301  Sterimol/L: 16.6418 
 
 Surface and Volume Properties
  Accessible surface: 661.7  Positive charged surface: 422.29  Negative charged surface: 239.41  Volume: 380.625
  Hydrophobic surface: 502.467  Hydrophilic surface: 159.233
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.