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CHEMDIV-ZINC04799054

 MMsINC code: MMs00957471
Type: Neutral
Formula: C27H25FN2O6
SMILES:   Fc1ccccc1C1N(C)C(=O)c2c(cc(OC)c(OC)c2)C1C(=O)Nc1ccccc1C(OC)=
O
InChI:   InChI=1/C27H25FN2O6/c1-30-24(15-9-5-7-11-19(15)28)23(17-13-21(34-2)22(35-3)14-18(17)26(30)32)25(31)29-20-12-8-6-10-16(20)27(33)36-4/h5-14,23-24H,1-4H3,(H,29,31)/t23-,24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=166.885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.503 g/mol  logS: -6.02525  SlogP: 4.2742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196399  Sterimol/B1: 1.9975  Sterimol/B2: 3.32293  Sterimol/B3: 7.30753
  Sterimol/B4: 10.8306  Sterimol/L: 17.797 
 
 Surface and Volume Properties
  Accessible surface: 724.531  Positive charged surface: 530.597  Negative charged surface: 193.934  Volume: 443.125
  Hydrophobic surface: 643.109  Hydrophilic surface: 81.422
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.