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ACROSORGANICS-ZINC00388645

 MMsINC code: MMs00007091
Type: Neutral
Formula: C18H22N2
SMILES:   N(C1CCCCC1)c1ccc(Nc2ccccc2)cc1
InChI:   InChI=1/C18H22N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16,19-20H,2,5-6,9-10H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.6779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.388 g/mol  logS: -4.2728  SlogP: 5.1748  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0481398  Sterimol/B1: 2.42415  Sterimol/B2: 3.26843  Sterimol/B3: 3.42692
  Sterimol/B4: 7.09484  Sterimol/L: 16.0006 
 
 Surface and Volume Properties
  Accessible surface: 530.642  Positive charged surface: 361.56  Negative charged surface: 169.082  Volume: 285.125
  Hydrophobic surface: 498.149  Hydrophilic surface: 32.493
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00007092
ACROSORGANICS-ZINC00388645