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NCID-ZINC01566911

 MMsINC code: MMs02228073
Type: Neutral
Formula: C24H32N2
SMILES:   N1(CCN(CC1)C(Cc1ccccc1)c1ccccc1)C1CCCCC1
InChI:   InChI=1/C24H32N2/c1-4-10-21(11-5-1)20-24(22-12-6-2-7-13-22)26-18-16-25(17-19-26)23-14-8-3-9-15-23/h1-2,4-7,10-13,23-24H,3,8-9,14-20H2/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.534 g/mol  logS: -4.60357  SlogP: 5.01617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0665287  Sterimol/B1: 3.07516  Sterimol/B2: 3.30706  Sterimol/B3: 3.74443
  Sterimol/B4: 8.00988  Sterimol/L: 17.8459 
 
 Surface and Volume Properties
  Accessible surface: 631.662  Positive charged surface: 462.94  Negative charged surface: 168.722  Volume: 380.125
  Hydrophobic surface: 630.231  Hydrophilic surface: 1.431
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02228074
NCID-ZINC01566911