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ASINEX-ZINC04969159

 MMsINC code: MMs00418190
Type: Neutral
Formula: C14H28N2O2
SMILES:   O1CCCC1CNC(C(=O)N(C(C)C)C(C)C)C
InChI:   InChI=1/C14H28N2O2/c1-10(2)16(11(3)4)14(17)12(5)15-9-13-7-6-8-18-13/h10-13,15H,6-9H2,1-5H3/t12-,13-/m1/s1

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Potential Energy
Epot(MMFF94)=69.3374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.39 g/mol  logS: -1.75513  SlogP: 1.7889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115824  Sterimol/B1: 2.31697  Sterimol/B2: 2.56739  Sterimol/B3: 5.40888
  Sterimol/B4: 5.80522  Sterimol/L: 14.3638 
 
 Surface and Volume Properties
  Accessible surface: 524.576  Positive charged surface: 390.263  Negative charged surface: 134.314  Volume: 282.5
  Hydrophobic surface: 398.307  Hydrophilic surface: 126.269
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00418191
ASINEX-ZINC04969159