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NCID-ZINC01607909

 MMsINC code: MMs02259530
Type: Neutral
Formula: C21H28N2O2
SMILES:   O(c1ccc(cc1)C(=O)C(CN(C)C)CN(C)C)c1ccc(cc1)C
InChI:   InChI=1/C21H28N2O2/c1-16-6-10-19(11-7-16)25-20-12-8-17(9-13-20)21(24)18(14-22(2)3)15-23(4)5/h6-13,18H,14-15H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.8887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.467 g/mol  logS: -3.49868  SlogP: 3.70942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0774004  Sterimol/B1: 3.13535  Sterimol/B2: 4.48329  Sterimol/B3: 4.50657
  Sterimol/B4: 6.15964  Sterimol/L: 17.947 
 
 Surface and Volume Properties
  Accessible surface: 648.108  Positive charged surface: 486.542  Negative charged surface: 161.566  Volume: 360.125
  Hydrophobic surface: 626.22  Hydrophilic surface: 21.888
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02259531
NCID-ZINC01607909