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CHEMDIV-ZINC00152069

 MMsINC code: MMs00834950
Type: Neutral
Formula: C20H25N3O
SMILES:   O=C(N(C)C)N1CCN(CC1)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C20H25N3O/c1-21(2)20(24)23-15-13-22(14-16-23)19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.44 g/mol  logS: -2.97488  SlogP: 3.1707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125505  Sterimol/B1: 3.69705  Sterimol/B2: 4.25561  Sterimol/B3: 4.94523
  Sterimol/B4: 6.58167  Sterimol/L: 14.536 
 
 Surface and Volume Properties
  Accessible surface: 577.023  Positive charged surface: 417.288  Negative charged surface: 159.735  Volume: 334.375
  Hydrophobic surface: 544.142  Hydrophilic surface: 32.881
 
 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


MMs00834951
CHEMDIV-ZINC00152069