Drug ID:   | NPD5814 |
Drug Name:   | Fenticonazole |
Molecular Formula:   | C24H20Cl2N2OS |
Canonical SMILES:   | Clc1ccc(c(c1)Cl)C(Cn1cncc1)OCc1ccc(cc1)Sc1ccccc1 |
Standard InCHI:   | InChI=1S/C24H20Cl2N2OS/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-14,17,24H,15-16H2 |
Standard InCHIKey:   | ZCJYUTQZBAIHBS-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 |
---|---|---|
Intermediate Similarity | 0.7168 | NPC471614 |
Remote Similarity | 0.6198 | NPC228206 |
Remote Similarity | 0.6178 | NPC242923 |
Remote Similarity | 0.6063 | NPC54537 |
Remote Similarity | 0.5991 | NPC469308 |
Remote Similarity | 0.5991 | NPC308906 |
Remote Similarity | 0.5922 | NPC475920 |
Remote Similarity | 0.59 | NPC469975 |
Remote Similarity | 0.5894 | NPC477796 |
Remote Similarity | 0.5894 | NPC477795 |
Remote Similarity | 0.5894 | NPC477805 |
Remote Similarity | 0.5894 | NPC477806 |
Remote Similarity | 0.5864 | NPC280638 |
Remote Similarity | 0.5789 | NPC39092 |
Remote Similarity | 0.5767 | NPC161143 |
Remote Similarity | 0.5744 | NPC160666 |
Remote Similarity | 0.5742 | NPC150447 |
Remote Similarity | 0.5721 | NPC282531 |
Remote Similarity | 0.5702 | NPC12100 |
Remote Similarity | 0.5676 | NPC198673 |
Remote Similarity | 0.5672 | NPC17305 |
Remote Similarity | 0.5668 | NPC284678 |
Remote Similarity | 0.5668 | NPC30540 |
Remote Similarity | 0.5665 | NPC471603 |
Remote Similarity | 0.5647 | NPC113369 |
Remote Similarity | 0.5644 | NPC168911 |
Molecular Weight   | 454.07 |
ALogP   | 1.9111 |
MLogP   | 3.44 |
XLogP   | 7.149 |
HDA   | 3 |
HBD   | 0 |
Rotatable Bonds   | 10 |
TPSA   | 52.35 |
RO5 Violation   | 1 |