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PUBCHEM-ZINC05929711

 MMsINC code: MMs03448629
Type: Neutral
Formula: C20H24FN3O4
SMILES:   Fc1cc2c(N(C=C(C(O)=O)C2=O)C2CC2)c(OC)c1N1CC(NC(C1)C)C
InChI:   InChI=1/C20H24FN3O4/c1-10-7-23(8-11(2)22-10)17-15(21)6-13-16(19(17)28-3)24(12-4-5-12)9-14(18(13)25)20(26)27/h6,9-12,22H,4-5,7-8H2,1-3H3,(H,26,27)/t10-,11+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=182.609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.427 g/mol  logS: -3.43939  SlogP: 2.1545  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.142763  Sterimol/B1: 2.37175  Sterimol/B2: 4.80724  Sterimol/B3: 5.70436
  Sterimol/B4: 7.29002  Sterimol/L: 15.7893 
 
 Surface and Volume Properties
  Accessible surface: 604.509  Positive charged surface: 416.126  Negative charged surface: 188.383  Volume: 355.25
  Hydrophobic surface: 381.236  Hydrophilic surface: 223.273
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.