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PUBCHEM-ZINC06255948

 MMsINC code: MMs03641398
Type: Neutral
Formula: C15H26N4O5
SMILES:   OC(=O)CNC(=O)CNC(=O)C(NC(=O)C1NCCC1)CC(C)C
InChI:   InChI=1/C15H26N4O5/c1-9(2)6-11(19-15(24)10-4-3-5-16-10)14(23)18-7-12(20)17-8-13(21)22/h9-11,16H,3-8H2,1-2H3,(H,17,20)(H,18,23)(H,19,24)(H,21,22)/t10-,11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.8339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.396 g/mol  logS: -1.98283  SlogP: -1.4137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0465445  Sterimol/B1: 1.969  Sterimol/B2: 3.29103  Sterimol/B3: 4.7622
  Sterimol/B4: 7.3064  Sterimol/L: 19.5842 
 
 Surface and Volume Properties
  Accessible surface: 634.042  Positive charged surface: 455.889  Negative charged surface: 178.153  Volume: 321.375
  Hydrophobic surface: 348.903  Hydrophilic surface: 285.139
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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: no related molecules available.