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NCID-ZINC01685558

 MMsINC code: MMs02318725
Type: Neutral
Formula: C10H23NO
SMILES:   OCCCCCNCCCCC
InChI:   InChI=1/C10H23NO/c1-2-3-5-8-11-9-6-4-7-10-12/h11-12H,2-10H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.58723 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.3 g/mol  logS: -1.31967  SlogP: 1.9288  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0242316  Sterimol/B1: 2.27808  Sterimol/B2: 2.43673  Sterimol/B3: 2.50289
  Sterimol/B4: 3.05013  Sterimol/L: 18.0802 
 
 Surface and Volume Properties
  Accessible surface: 468.422  Positive charged surface: 392.042  Negative charged surface: 76.3797  Volume: 212.125
  Hydrophobic surface: 372.644  Hydrophilic surface: 95.778
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02318726
NCID-ZINC01685558