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NCID-ZINC01623728

 MMsINC code: MMs02271006
Type: Neutral
Formula: C24H17FN2O7
SMILES:   FC1=CN(C2OC(C=C(OC(=O)c3ccccc3)C2=O)C)C(=O)N(C(=O)c2ccccc2)C
1=O
InChI:   InChI=1/C24H17FN2O7/c1-14-12-18(34-23(31)16-10-6-3-7-11-16)19(28)22(33-14)26-13-17(25)21(30)27(24(26)32)20(29)15-8-4-2-5-9-15/h2-14,22H,1H3/t14-,22+/m0/s1

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Potential Energy
Epot(MMFF94)=154.648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 464.405 g/mol  logS: -6.2322  SlogP: 3.0656  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0677456  Sterimol/B1: 2.02234  Sterimol/B2: 4.09336  Sterimol/B3: 4.76269
  Sterimol/B4: 8.51544  Sterimol/L: 19.593 
 
 Surface and Volume Properties
  Accessible surface: 665.045  Positive charged surface: 316.027  Negative charged surface: 349.019  Volume: 393.5
  Hydrophobic surface: 488.989  Hydrophilic surface: 176.056
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules: no related molecules available.