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ENAMINE-ZINC03363154

 MMsINC code: MMs01397030
Type: Neutral
Formula: C21H23N3O4
SMILES:   O(C)c1ccccc1CNC(=O)CN1C(=O)C(NC1=O)(C)c1ccc(cc1)C
InChI:   InChI=1/C21H23N3O4/c1-14-8-10-16(11-9-14)21(2)19(26)24(20(27)23-21)13-18(25)22-12-15-6-4-5-7-17(15)28-3/h4-11H,12-13H2,1-3H3,(H,22,25)(H,23,27)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.9449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.432 g/mol  logS: -4.59437  SlogP: 2.66492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0497397  Sterimol/B1: 2.23488  Sterimol/B2: 3.29803  Sterimol/B3: 5.41819
  Sterimol/B4: 6.43839  Sterimol/L: 19.8553 
 
 Surface and Volume Properties
  Accessible surface: 671.87  Positive charged surface: 428.282  Negative charged surface: 243.588  Volume: 364.25
  Hydrophobic surface: 520.641  Hydrophilic surface: 151.229
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.