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OTAVA-ZINC05457796

 MMsINC code: MMs02597249
Type: Neutral
Formula: C18H27NO5
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)COC(=O)C(CC)CC
InChI:   InChI=1/C18H27NO5/c1-5-14(6-2)18(21)24-12-17(20)19-10-9-13-7-8-15(22-3)16(11-13)23-4/h7-8,11,14H,5-6,9-10,12H2,1-4H3,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.0032 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.416 g/mol  logS: -3.54275  SlogP: 2.34187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0445361  Sterimol/B1: 3.22526  Sterimol/B2: 4.49071  Sterimol/B3: 4.65932
  Sterimol/B4: 4.73902  Sterimol/L: 21.1731 
 
 Surface and Volume Properties
  Accessible surface: 656.561  Positive charged surface: 507.408  Negative charged surface: 149.153  Volume: 340
  Hydrophobic surface: 521.414  Hydrophilic surface: 135.147
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.