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PUBCHEM-ZINC06412373

 MMsINC code: MMs03715564
Type: Neutral
Formula: C19H34N4O4
SMILES:   O=C(NC(C(CC)C)C=O)C1N(CCC1)C(=O)C(NC(=O)C(N)C)C(C)C
InChI:   InChI=1/C19H34N4O4/c1-6-12(4)14(10-24)21-18(26)15-8-7-9-23(15)19(27)16(11(2)3)22-17(25)13(5)20/h10-16H,6-9,20H2,1-5H3,(H,21,26)(H,22,25)/t12-,13-,14+,15-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=126.385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.505 g/mol  logS: -2.58248  SlogP: 0.1952  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.113324  Sterimol/B1: 3.05156  Sterimol/B2: 4.04493  Sterimol/B3: 4.88117
  Sterimol/B4: 8.89385  Sterimol/L: 16.9367 
 
 Surface and Volume Properties
  Accessible surface: 670.63  Positive charged surface: 480.298  Negative charged surface: 190.331  Volume: 383.375
  Hydrophobic surface: 422.432  Hydrophilic surface: 248.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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


MMs03715565
PUBCHEM-ZINC06412373