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ANALYTICONDISCOVERY-ZINC04260216

 MMsINC code: MMs00034314
Type: Neutral
Formula: C24H31FN4O4
SMILES:   Fc1ccc(cc1)COC1CC2N(C1)C(=O)C1N(CCN(C1)C(=O)NC1CCCCC1)C2=O
InChI:   InChI=1/C24H31FN4O4/c25-17-8-6-16(7-9-17)15-33-19-12-20-22(30)28-11-10-27(14-21(28)23(31)29(20)13-19)24(32)26-18-4-2-1-3-5-18/h6-9,18-21H,1-5,10-15H2,(H,26,32)/t19-,20+,21+/m1/s1

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Potential Energy
Epot(MMFF94)=109.113 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.534 g/mol  logS: -3.95645  SlogP: 2.1469  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0703529  Sterimol/B1: 2.90748  Sterimol/B2: 3.7968  Sterimol/B3: 4.5113
  Sterimol/B4: 8.53595  Sterimol/L: 20.2433 
 
 Surface and Volume Properties
  Accessible surface: 750.842  Positive charged surface: 532.952  Negative charged surface: 217.89  Volume: 427.5
  Hydrophobic surface: 646.653  Hydrophilic surface: 104.189
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.