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OTAVA-ZINC01981972

 MMsINC code: MMs02577036
Type: Neutral
Formula: C24H24N2O3
SMILES:   O(C(C(=O)Nc1ccc(cc1)C)C)c1ccc(cc1)C(=O)NCc1ccccc1
InChI:   InChI=1/C24H24N2O3/c1-17-8-12-21(13-9-17)26-23(27)18(2)29-22-14-10-20(11-15-22)24(28)25-16-19-6-4-3-5-7-19/h3-15,18H,16H2,1-2H3,(H,25,28)(H,26,27)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -6.14685  SlogP: 4.59742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0239994  Sterimol/B1: 2.6361  Sterimol/B2: 3.31389  Sterimol/B3: 4.02487
  Sterimol/B4: 6.62916  Sterimol/L: 22.9304 
 
 Surface and Volume Properties
  Accessible surface: 721.767  Positive charged surface: 415.23  Negative charged surface: 306.538  Volume: 389
  Hydrophobic surface: 612.776  Hydrophilic surface: 108.991
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.