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ENAMINE-ZINC02637460

 MMsINC code: MMs01266627
Type: Neutral
Formula: C23H30N2O3
SMILES:   O(C)c1ccc(cc1)CCNC(=O)C(NC(=O)c1ccccc1C)CC(C)C
InChI:   InChI=1/C23H30N2O3/c1-16(2)15-21(25-22(26)20-8-6-5-7-17(20)3)23(27)24-14-13-18-9-11-19(28-4)12-10-18/h5-12,16,21H,13-15H2,1-4H3,(H,24,27)(H,25,26)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.504 g/mol  logS: -5.61667  SlogP: 3.50699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0571217  Sterimol/B1: 2.6055  Sterimol/B2: 5.46868  Sterimol/B3: 5.7507
  Sterimol/B4: 5.816  Sterimol/L: 21.0807 
 
 Surface and Volume Properties
  Accessible surface: 706.564  Positive charged surface: 474.96  Negative charged surface: 231.604  Volume: 394.875
  Hydrophobic surface: 608.246  Hydrophilic surface: 98.318
 
 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.