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CHEMDIV-ZINC04571749

 MMsINC code: MMs00938127
Type: Neutral
Formula: C23H29N3O4
SMILES:   O(CCCNC(=O)C(NC(=O)c1ccc(NC(=O)C)cc1)c1ccc(cc1)C)CC
InChI:   InChI=1/C23H29N3O4/c1-4-30-15-5-14-24-23(29)21(18-8-6-16(2)7-9-18)26-22(28)19-10-12-20(13-11-19)25-17(3)27/h6-13,21H,4-5,14-15H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.1651 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.502 g/mol  logS: -4.82647  SlogP: 3.06282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0390101  Sterimol/B1: 3.01712  Sterimol/B2: 3.69304  Sterimol/B3: 3.87936
  Sterimol/B4: 9.64545  Sterimol/L: 23.8517 
 
 Surface and Volume Properties
  Accessible surface: 776.115  Positive charged surface: 511.8  Negative charged surface: 264.315  Volume: 410.125
  Hydrophobic surface: 631.378  Hydrophilic surface: 144.737
 
 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.