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NCID-ZINC01648181

 MMsINC code: MMs02288442
Type: Neutral
Formula: C7H15N
SMILES:   N1CCC(CC1C)C
InChI:   InChI=1/C7H15N/c1-6-3-4-8-7(2)5-6/h6-8H,3-5H2,1-2H3/t6-,7-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.21183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 113.204 g/mol  logS: -0.95406  SlogP: 1.3944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185394  Sterimol/B1: 2.47927  Sterimol/B2: 2.71866  Sterimol/B3: 3.04491
  Sterimol/B4: 5.55907  Sterimol/L: 9.71676 
 
 Surface and Volume Properties
  Accessible surface: 313.103  Positive charged surface: 254.411  Negative charged surface: 58.692  Volume: 137.25
  Hydrophobic surface: 249.179  Hydrophilic surface: 63.924
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02288443
NCID-ZINC01648181