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PUBCHEM-ZINC06200709

 MMsINC code: MMs03608157
Type: Neutral
Formula: C25H32N2O2
SMILES:   O=C(NC(C(=O)NC1CCCCCCC1)C)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H32N2O2/c1-19(24(28)27-22-17-11-3-2-4-12-18-22)26-25(29)23(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,19,22-23H,2-4,11-12,17-18H2,1H3,(H,26,29)(H,27,28)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=157.105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.543 g/mol  logS: -6.2363  SlogP: 4.5523  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0996665  Sterimol/B1: 2.1572  Sterimol/B2: 4.69551  Sterimol/B3: 6.28751
  Sterimol/B4: 6.47676  Sterimol/L: 18.1604 
 
 Surface and Volume Properties
  Accessible surface: 692.836  Positive charged surface: 449.6  Negative charged surface: 243.236  Volume: 407.125
  Hydrophobic surface: 617.529  Hydrophilic surface: 75.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.