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CHEMBLOCK-ZINC04694360

 MMsINC code: MMs00570191
Type: Neutral
Formula: C10H19N3O2
SMILES:   O=C(NC1CC1)C(=O)NCCCN(C)C
InChI:   InChI=1/C10H19N3O2/c1-13(2)7-3-6-11-9(14)10(15)12-8-4-5-8/h8H,3-7H2,1-2H3,(H,11,14)(H,12,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.8035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.281 g/mol  logS: -0.58772  SlogP: -0.6671  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0277946  Sterimol/B1: 2.07897  Sterimol/B2: 2.62762  Sterimol/B3: 3.30825
  Sterimol/B4: 4.68562  Sterimol/L: 16.7209 
 
 Surface and Volume Properties
  Accessible surface: 482.42  Positive charged surface: 381.765  Negative charged surface: 100.655  Volume: 220.375
  Hydrophobic surface: 330.666  Hydrophilic surface: 151.754
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  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


MMs00570192
CHEMBLOCK-ZINC04694360