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CHEMBLOCK-ZINC04687149

 MMsINC code: MMs00569163
Type: Neutral
Formula: C25H33N3O3
SMILES:   O(CCNC(=O)CCCCCC1NC(=O)NC1C)c1ccccc1Cc1ccccc1
InChI:   InChI=1/C25H33N3O3/c1-19-22(28-25(30)27-19)13-6-3-7-15-24(29)26-16-17-31-23-14-9-8-12-21(23)18-20-10-4-2-5-11-20/h2,4-5,8-12,14,19,22H,3,6-7,13,15-18H2,1H3,(H,26,29)(H2,27,28,30)/t19-,22+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.4194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.557 g/mol  logS: -4.90305  SlogP: 3.79277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0607721  Sterimol/B1: 2.29799  Sterimol/B2: 4.59326  Sterimol/B3: 6.25829
  Sterimol/B4: 6.6429  Sterimol/L: 20.8751 
 
 Surface and Volume Properties
  Accessible surface: 778.98  Positive charged surface: 533.851  Negative charged surface: 245.129  Volume: 433.5
  Hydrophobic surface: 610.889  Hydrophilic surface: 168.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.