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AURORAFEINCHEMIE-ZINC06381664

 MMsINC code: MMs00476901
Type: Neutral
Formula: C24H23N3O2
SMILES:   O(C)c1ccc(cc1)CC(=O)NC(Cc1ccccc1)c1[nH]c2c(n1)cccc2
InChI:   InChI=1/C24H23N3O2/c1-29-19-13-11-18(12-14-19)16-23(28)25-22(15-17-7-3-2-4-8-17)24-26-20-9-5-6-10-21(20)27-24/h2-14,22H,15-16H2,1H3,(H,25,28)(H,26,27)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.395 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.467 g/mol  logS: -5.49165  SlogP: 4.30964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0969467  Sterimol/B1: 2.39607  Sterimol/B2: 5.18506  Sterimol/B3: 5.43177
  Sterimol/B4: 9.68132  Sterimol/L: 17.0311 
 
 Surface and Volume Properties
  Accessible surface: 693.265  Positive charged surface: 429.105  Negative charged surface: 264.16  Volume: 383.125
  Hydrophobic surface: 631.747  Hydrophilic surface: 61.518
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.