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PUBCHEM-ZINC05799473

 MMsINC code: MMs03391126
Type: Neutral
Formula: C23H25FN2O3
SMILES:   Fc1ccc(cc1)C(=O)C1C(N(CCN(CC)CC)C(=O)C1=O)c1ccccc1
InChI:   InChI=1/C23H25FN2O3/c1-3-25(4-2)14-15-26-20(16-8-6-5-7-9-16)19(22(28)23(26)29)21(27)17-10-12-18(24)13-11-17/h5-13,19-20H,3-4,14-15H2,1-2H3/t19-,20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.5147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.462 g/mol  logS: -4.60823  SlogP: 3.2145  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131035  Sterimol/B1: 2.77695  Sterimol/B2: 4.50329  Sterimol/B3: 5.20423
  Sterimol/B4: 8.20307  Sterimol/L: 16.5569 
 
 Surface and Volume Properties
  Accessible surface: 643.619  Positive charged surface: 386.774  Negative charged surface: 256.845  Volume: 381.875
  Hydrophobic surface: 498.573  Hydrophilic surface: 145.046
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03391127
PUBCHEM-ZINC05799473