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OTAVA-ZINC01938660

 MMsINC code: MMs02570449
Type: Neutral
Formula: C24H29NO4
SMILES:   O(C(=O)C(Oc1ccc(cc1)C(=O)Nc1cccc(C)c1C)C)C1CCCCC1
InChI:   InChI=1/C24H29NO4/c1-16-8-7-11-22(17(16)2)25-23(26)19-12-14-21(15-13-19)28-18(3)24(27)29-20-9-5-4-6-10-20/h7-8,11-15,18,20H,4-6,9-10H2,1-3H3,(H,25,26)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.499 g/mol  logS: -6.24616  SlogP: 5.19894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0206982  Sterimol/B1: 2.93382  Sterimol/B2: 3.43034  Sterimol/B3: 4.20556
  Sterimol/B4: 5.77578  Sterimol/L: 23.4883 
 
 Surface and Volume Properties
  Accessible surface: 715.964  Positive charged surface: 461.445  Negative charged surface: 254.518  Volume: 394.375
  Hydrophobic surface: 630.38  Hydrophilic surface: 85.584
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.