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BACHEM-ZINC02522665

 MMsINC code: MMs00483427
Type: Neutral
Formula: C10H21N5O4
SMILES:   OC(C(N)C(=O)NC(CCCNC(N)=N)C(O)=O)C
InChI:   InChI=1/C10H21N5O4/c1-5(16)7(11)8(17)15-6(9(18)19)3-2-4-14-10(12)13/h5-7,16H,2-4,11H2,1H3,(H,15,17)(H,18,19)(H4,12,13,14)/t5-,6+,7+/m1/s1

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Potential Energy
Epot(MMFF94)=12.4129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.309 g/mol  logS: -0.29906  SlogP: -2.47283  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0741244  Sterimol/B1: 2.22876  Sterimol/B2: 2.4339  Sterimol/B3: 4.69517
  Sterimol/B4: 8.02504  Sterimol/L: 15.1468 
 
 Surface and Volume Properties
  Accessible surface: 528.525  Positive charged surface: 378.552  Negative charged surface: 149.973  Volume: 256.5
  Hydrophobic surface: 166.597  Hydrophilic surface: 361.928
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.