3-[(7-morpholin-4-yl-10-thia-13,15-diaza-8-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]propan-1-ol
Formula:C19H24N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(7-morpholin-4-yl-10-thia-13,15-diaza-8-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]propan-1-ol is a drug-like molecule.
| MolName | 3-[(7-morpholin-4-yl-10-thia-13,15-diaza-8-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]propan-1-ol |
| MolecularFormula | C19H24N5O2S |
| Smiles | OCCCNc1c2sc3[nH+]c(N4CCOCC4)c(CCC4)c4c3c2ncn1 |
| InChI | InChI=1S/C19H23N5O2S/c25-8-2-5-20-17-16-15(21-11-22-17)14-12-3-1-4-13(12)18(23-19(14)27-16)24-6-9-26-10-7-24/h11,25H,1-10H2,(H,20,21,22)/p+1 |
| InChIK | VXPLFJQDTOKQGZ-UHFFFAOYSA-O |
| TotalMolweight | 386.499 |
| Molweight | 386.499 |
| MonoisotopicMass | 386.16507 |
| CLogP | 0.0978 |
| CLogS | -5.115 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 272.42 |
| Relative PSA | 0.29517 |
| PolarSurfaceArea | 112.89 |
| Druglikeness | -3.0915 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 13 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(7-morpholin-4-yl-10-thia-13,15-diaza-8-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]propan-1-ol | 2 - 3-[(7-morpholin-4-yl-10-thia-13,15-diaza-8-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]propan-1-ol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off