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CHEMBRIDGE-ZINC04191794

 MMsINC code: MMs00765486
Type: Neutral
Formula: C24H35FN4O
SMILES:   Fc1ccc(N2CCN(CC2)CCCNC(=O)NC23CC4CC(C2)CC(C3)C4)cc1
InChI:   InChI=1/C24H35FN4O/c25-21-2-4-22(5-3-21)29-10-8-28(9-11-29)7-1-6-26-23(30)27-24-15-18-12-19(16-24)14-20(13-18)17-24/h2-5,18-20H,1,6-17H2,(H2,26,27,30)/t18-,19+,20-,24-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.569 g/mol  logS: -4.69604  SlogP: 3.6058  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0297989  Sterimol/B1: 2.8423  Sterimol/B2: 3.34894  Sterimol/B3: 4.52099
  Sterimol/B4: 5.8229  Sterimol/L: 22.9438 
 
 Surface and Volume Properties
  Accessible surface: 718.592  Positive charged surface: 557.792  Negative charged surface: 160.799  Volume: 409.75
  Hydrophobic surface: 652.65  Hydrophilic surface: 65.942
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00765487
CHEMBRIDGE-ZINC04191794