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ANALYTICONDISCOVERY-ZINC08300357

 MMsINC code: MMs00041638
Type: Neutral
Formula: C24H21FN4O3
SMILES:   Fc1ccc(cc1)C(=O)N1CC2C=3N(CC(C2)C1)C(=O)C=CC=3NC(=O)c1cccnc1
InChI:   InChI=1/C24H21FN4O3/c25-19-5-3-16(4-6-19)24(32)28-12-15-10-18(14-28)22-20(7-8-21(30)29(22)13-15)27-23(31)17-2-1-9-26-11-17/h1-9,11,15,18H,10,12-14H2,(H,27,31)/t15-,18+/m0/s1

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Potential Energy
Epot(MMFF94)=148.44 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 432.455 g/mol  logS: -4.09275  SlogP: 2.3526  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136226  Sterimol/B1: 3.51389  Sterimol/B2: 4.79472  Sterimol/B3: 5.3068
  Sterimol/B4: 5.31366  Sterimol/L: 18.8438 
 
 Surface and Volume Properties
  Accessible surface: 640.617  Positive charged surface: 394.331  Negative charged surface: 246.286  Volume: 387
  Hydrophobic surface: 539.113  Hydrophilic surface: 101.504
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.