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AURORAFEINCHEMIE-ZINC06778653

 MMsINC code: MMs00481190
Type: Neutral
Formula: C23H30N2O3
SMILES:   O(CC)c1ccccc1C(=O)NC(C(C)C)C(=O)Nc1c(cc(cc1C)C)C
InChI:   InChI=1/C23H30N2O3/c1-7-28-19-11-9-8-10-18(19)22(26)24-20(14(2)3)23(27)25-21-16(5)12-15(4)13-17(21)6/h8-14,20H,7H2,1-6H3,(H,24,26)(H,25,27)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.504 g/mol  logS: -5.43064  SlogP: 4.40366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104575  Sterimol/B1: 2.41711  Sterimol/B2: 3.81281  Sterimol/B3: 5.63089
  Sterimol/B4: 8.16864  Sterimol/L: 18.8533 
 
 Surface and Volume Properties
  Accessible surface: 688.101  Positive charged surface: 447.028  Negative charged surface: 241.073  Volume: 393.375
  Hydrophobic surface: 594.517  Hydrophilic surface: 93.584
 
 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.