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FDA-ZINC00537893

 MMsINC code: MMs01725161
Type: Neutral
Formula: C25H32N2O2
SMILES:   O1CCN(CC1)CC(C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1)C
InChI:   InChI=1/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=236.775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.543 g/mol  logS: -4.1488  SlogP: 3.5634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.431277  Sterimol/B1: 2.63055  Sterimol/B2: 4.46262  Sterimol/B3: 7.71394
  Sterimol/B4: 7.97325  Sterimol/L: 13.3487 
 
 Surface and Volume Properties
  Accessible surface: 629.36  Positive charged surface: 446.335  Negative charged surface: 183.025  Volume: 396.375
  Hydrophobic surface: 585.41  Hydrophilic surface: 43.95
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.