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ENAMINE-ZINC06602921

 MMsINC code: MMs01684154
Type: Neutral
Formula: C25H25FN2O2
SMILES:   Fc1ccc(cc1)C(N1CCOCC1)CNC(=O)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C25H25FN2O2/c26-23-12-10-21(11-13-23)24(28-14-16-30-17-15-28)18-27-25(29)22-8-6-20(7-9-22)19-4-2-1-3-5-19/h1-13,24H,14-18H2,(H,27,29)/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=147.451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.485 g/mol  logS: -6.20964  SlogP: 4.3915  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0539131  Sterimol/B1: 3.89356  Sterimol/B2: 4.90517  Sterimol/B3: 4.93097
  Sterimol/B4: 5.42809  Sterimol/L: 20.7873 
 
 Surface and Volume Properties
  Accessible surface: 680.568  Positive charged surface: 402.588  Negative charged surface: 267.244  Volume: 394.375
  Hydrophobic surface: 629.272  Hydrophilic surface: 51.296
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01684155
ENAMINE-ZINC06602921