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ENAMINE-ZINC03398208

 MMsINC code: MMs01418375
Type: Neutral
Formula: C15H25N4O3+
SMILES:   O=C1N(C[NH+]2CCC(CC2)C(=O)N)C(=O)NC12CCCCC2
InChI:   InChI=1/C15H24N4O3/c16-12(20)11-4-8-18(9-5-11)10-19-13(21)15(17-14(19)22)6-2-1-3-7-15/h11H,1-10H2,(H2,16,20)(H,17,22)/p+1

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Potential Energy
Epot(MMFF94)=-33.7639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.39 g/mol  logS: -1.67205  SlogP: -1.0212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0964126  Sterimol/B1: 2.88884  Sterimol/B2: 3.09675  Sterimol/B3: 4.5184
  Sterimol/B4: 5.77845  Sterimol/L: 15.2868 
 
 Surface and Volume Properties
  Accessible surface: 539.303  Positive charged surface: 410.515  Negative charged surface: 128.788  Volume: 296.125
  Hydrophobic surface: 343.237  Hydrophilic surface: 196.066
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  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


MMs01418376
ENAMINE-ZINC03398208