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FDA-ZINC01999542

 MMsINC code: MMs01725717
Type: Neutral
Formula: C19H36N+
SMILES:   [NH2+]1CCCCC1CC(C1CCCCC1)C1CCCCC1
InChI:   InChI=1/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2/p+1/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.0425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.504 g/mol  logS: -6.59478  SlogP: 4.2692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169366  Sterimol/B1: 2.37637  Sterimol/B2: 3.2166  Sterimol/B3: 3.99988
  Sterimol/B4: 10.3959  Sterimol/L: 13.1261 
 
 Surface and Volume Properties
  Accessible surface: 556.494  Positive charged surface: 479.761  Negative charged surface: 76.7328  Volume: 327.25
  Hydrophobic surface: 536.304  Hydrophilic surface: 20.19
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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


MMs01725718
FDA-ZINC01999542