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NCID-ZINC01649606

 MMsINC code: MMs02289566
Type: Neutral
Formula: C20H25NO2
SMILES:   O(c1ccc(cc1)C(=O)CCN(CC)CC)c1ccc(cc1)C
InChI:   InChI=1/C20H25NO2/c1-4-21(5-2)15-14-20(22)17-8-12-19(13-9-17)23-18-10-6-16(3)7-11-18/h6-13H,4-5,14-15H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.8933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.425 g/mol  logS: -4.38065  SlogP: 4.70192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0567697  Sterimol/B1: 2.12325  Sterimol/B2: 4.08101  Sterimol/B3: 4.53879
  Sterimol/B4: 6.50119  Sterimol/L: 18.602 
 
 Surface and Volume Properties
  Accessible surface: 626.363  Positive charged surface: 411.674  Negative charged surface: 214.689  Volume: 332.125
  Hydrophobic surface: 548.236  Hydrophilic surface: 78.127
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs02289567
NCID-ZINC01649606