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ASINEX-ZINC02899410

 MMsINC code: MMs00280591
Type: Neutral
Formula: C15H24N2
SMILES:   N1(CCN(CC1)C(CC)C)Cc1ccccc1
InChI:   InChI=1/C15H24N2/c1-3-14(2)17-11-9-16(10-12-17)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.9391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.371 g/mol  logS: -2.15925  SlogP: 2.8691  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146124  Sterimol/B1: 2.65809  Sterimol/B2: 2.82039  Sterimol/B3: 5.02736
  Sterimol/B4: 5.7861  Sterimol/L: 13.7203 
 
 Surface and Volume Properties
  Accessible surface: 488.965  Positive charged surface: 361.877  Negative charged surface: 127.088  Volume: 260.375
  Hydrophobic surface: 440.798  Hydrophilic surface: 48.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00280592
ASINEX-ZINC02899410