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ACROSORGANICS-ZINC03861635

 MMsINC code: MMs00016031
Type: Neutral
Formula: C25H30N3+
SMILES:   [N+](C)(C)=C1C=CC(C=C1)=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChI:   InChI=1/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=192.957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.536 g/mol  logS: -5.27583  SlogP: 4.27689  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102359  Sterimol/B1: 2.3097  Sterimol/B2: 2.37653  Sterimol/B3: 4.65355
  Sterimol/B4: 12.5374  Sterimol/L: 16.3431 
 
 Surface and Volume Properties
  Accessible surface: 689.444  Positive charged surface: 551.674  Negative charged surface: 134.439  Volume: 400.75
  Hydrophobic surface: 682.404  Hydrophilic surface: 7.04
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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: no related molecules available.