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SIAL-ZINC04977585

 MMsINC code: MMs03926684
Type: Neutral
Formula: C14H26N2O
SMILES:   O=C(NC(C)(C)C)C1NCC2C(C1)CCCC2
InChI:   InChI=1/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11+,12+/m0/s1

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Potential Energy
Epot(MMFF94)=59.0197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.375 g/mol  logS: -2.91122  SlogP: 2.0694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0956023  Sterimol/B1: 2.26892  Sterimol/B2: 3.457  Sterimol/B3: 4.29742
  Sterimol/B4: 4.93046  Sterimol/L: 14.1216 
 
 Surface and Volume Properties
  Accessible surface: 476.036  Positive charged surface: 366.954  Negative charged surface: 109.082  Volume: 257.75
  Hydrophobic surface: 376.499  Hydrophilic surface: 99.537
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03926685
SIAL-ZINC04977585