8-chloro-3-[(Z)-(3-hydroxyphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Formula:C17H11N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
8-chloro-3-[(Z)-(3-hydroxyphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is a drug-like molecule.
| MolName | 8-chloro-3-[(Z)-(3-hydroxyphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione |
| MolecularFormula | C17H11N4O3Cl |
| Smiles | Oc1cccc(/C=N\N(C(c([nH]c(cc2)c3cc2Cl)c3N2)=O)C2=O)c1 |
| InChI | InChI=1S/C17H11ClN4O3/c18-10-4-5-13-12(7-10)14-15(20-13)16(24)22(17(25)21-14)19-8-9-2-1-3-11(23)6-9/h1-8,20,23H,(H,21,25) |
| InChIK | VIPJDROFIFNNDF-UHFFFAOYSA-N |
| TotalMolweight | 354.752 |
| Molweight | 354.752 |
| MonoisotopicMass | 354.051968 |
| CLogP | 2.7767 |
| CLogS | -5.087 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 247.48 |
| Relative PSA | 0.32201 |
| PolarSurfaceArea | 97.79 |
| Druglikeness | 5.3128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 8-chloro-3-[(Z)-(3-hydroxyphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione | 2 - 8-chloro-3-[(Z)-(3-hydroxyphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off