Drug ID:   | NPD9304 |
Drug Name:   | Sulfacarbamide |
Molecular Formula:   | C7H9N3O3S |
Canonical SMILES:   | OC(=N)NS(=O)(=O)c1ccc(cc1)N |
Standard InCHI:   | InChI=1S/C7H9N3O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,8H2,(H3,9,10,11) |
Standard InCHIKey:   | WVAKABMNNSMCDK-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
Similarity Level | Similarity Score | Natural Product ID |
---|---|---|
High Similarity | 0.9121 | NPC315403 |
High Similarity | 0.8511 | NPC107135 |
Intermediate Similarity | 0.8495 | NPC43655 |
Intermediate Similarity | 0.7204 | NPC301874 |
Intermediate Similarity | 0.7143 | NPC271732 |
Remote Similarity | 0.699 | NPC92689 |
Remote Similarity | 0.6939 | NPC307456 |
Remote Similarity | 0.6915 | NPC66775 |
Remote Similarity | 0.68 | NPC15839 |
Remote Similarity | 0.6796 | NPC297532 |
Remote Similarity | 0.678 | NPC218710 |
Remote Similarity | 0.6771 | NPC35599 |
Remote Similarity | 0.6757 | NPC474430 |
Remote Similarity | 0.6667 | NPC317400 |
Remote Similarity | 0.6481 | NPC476483 |
Remote Similarity | 0.6471 | NPC134825 |
Remote Similarity | 0.6381 | NPC262295 |
Remote Similarity | 0.6357 | NPC321053 |
Remote Similarity | 0.6355 | NPC78154 |
Remote Similarity | 0.6346 | NPC229477 |
Remote Similarity | 0.6262 | NPC173991 |
Remote Similarity | 0.6261 | NPC328877 |
Remote Similarity | 0.625 | NPC317642 |
Remote Similarity | 0.6204 | NPC191444 |
Remote Similarity | 0.6168 | NPC111233 |
Remote Similarity | 0.6168 | NPC30445 |
Remote Similarity | 0.6111 | NPC176858 |
Remote Similarity | 0.6102 | NPC37584 |
Remote Similarity | 0.6 | NPC70201 |
Remote Similarity | 0.5985 | NPC328590 |
Remote Similarity | 0.5963 | NPC240134 |
Remote Similarity | 0.5946 | NPC108800 |
Remote Similarity | 0.5941 | NPC302129 |
Remote Similarity | 0.5897 | NPC311660 |
Remote Similarity | 0.5847 | NPC256838 |
Remote Similarity | 0.5798 | NPC313362 |
Remote Similarity | 0.5798 | NPC313810 |
Remote Similarity | 0.576 | NPC470550 |
Remote Similarity | 0.576 | NPC205652 |
Remote Similarity | 0.5702 | NPC76327 |
Remote Similarity | 0.568 | NPC314141 |
Remote Similarity | 0.5641 | NPC316435 |
Remote Similarity | 0.5641 | NPC75496 |
Remote Similarity | 0.563 | NPC178681 |
Remote Similarity | 0.5625 | NPC31651 |
Remote Similarity | 0.561 | NPC255721 |
Molecular Weight   | 215.04 |
ALogP   | -1.2496 |
MLogP   | 1.46 |
XLogP   | 0.644 |
HDA   | 6 |
HBD   | 4 |
Rotatable Bonds   | 5 |
TPSA   | 124.65 |
RO5 Violation   | 0 |