1-morpholin-4-yl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propan-1-one
Molecular Formula : C16H17N5O2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |1-morpholin-4-yl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propan-1-one is a drug-like molecule.
MolName : 1-morpholin-4-yl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propan-1-one |
MolecularFormula : C16H17N5O2S |
Smiles : O=C(CCSc1nnc(c(cccc2)c2[nH]2)c2n1)N1CCOCC1 |
InChI : InChI=1S/C16H17N5O2S/c22-13(21-6-8-23-9-7-21)5-10-24-16-18-15-14(19-20-16)11-3-1-2-4-12(11)17-15/h1-4H,5-10H2,(H,17,18,20) |
InChIK : YXGJFQJLAJXHRZ-UHFFFAOYSA-N |
TotalMolweight : 343.41 |
Molweight : 343.41 |
MonoisotopicMass : 343.110295 |
CLogP : 1.6128 |
CLogS : -3.218 |
H Acceptors : 7 |
H Donors : 1 |
TotalSurfaceArea : 252.91 |
Relative PSA : 0.35973 |
PolarSurfaceArea : 109.3 |
Druglikeness : 3.143 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.625 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 4 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 13 |
Sp3Atoms : 8 |
Symmetricatoms : 2 |
Amides : 1 |
Aromatic Nitrogens : 4 |
StereoCon : |