Drug ID:   | NPD406 |
Drug Name:   | Anagrelide Hydrochloride |
Molecular Formula:   | C10H7Cl2N3O.ClH |
Canonical SMILES:   | OC1=NC2=Nc3c(CN2C1)c(Cl)c(cc3)Cl.Cl |
Standard InCHI:   | InChI=1S/C10H7Cl2N3O.ClH/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7;/h1-2H,3-4H2,(H,13,14,16);1H |
Standard InCHIKey:   | TVWRQCIPWUCNMI-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 | 0.7163 | NPC283130 |
Intermediate Similarity | 0.7163 | NPC328683 |
Intermediate Similarity | 0.7071 | NPC317564 |
Intermediate Similarity | 0.7068 | NPC164802 |
Remote Similarity | 0.6644 | NPC226662 |
Remote Similarity | 0.6596 | NPC288232 |
Remote Similarity | 0.6494 | NPC325599 |
Remote Similarity | 0.6364 | NPC313352 |
Remote Similarity | 0.634 | NPC207428 |
Remote Similarity | 0.6235 | NPC324445 |
Remote Similarity | 0.6231 | NPC78154 |
Remote Similarity | 0.6224 | NPC296163 |
Remote Similarity | 0.6111 | NPC314141 |
Remote Similarity | 0.6111 | NPC187036 |
Remote Similarity | 0.6096 | NPC125416 |
Remote Similarity | 0.6087 | NPC178681 |
Remote Similarity | 0.6054 | NPC192209 |
Remote Similarity | 0.6013 | NPC300299 |
Remote Similarity | 0.5974 | NPC476950 |
Remote Similarity | 0.5949 | NPC184437 |
Remote Similarity | 0.5924 | NPC476685 |
Remote Similarity | 0.5924 | NPC476689 |
Remote Similarity | 0.5924 | NPC476687 |
Remote Similarity | 0.5879 | NPC471609 |
Remote Similarity | 0.5874 | NPC77294 |
Remote Similarity | 0.5871 | NPC478079 |
Remote Similarity | 0.5848 | NPC84317 |
Remote Similarity | 0.5789 | NPC240134 |
Remote Similarity | 0.578 | NPC154478 |
Remote Similarity | 0.5743 | NPC205652 |
Remote Similarity | 0.5743 | NPC470550 |
Remote Similarity | 0.5741 | NPC122553 |
Remote Similarity | 0.5733 | NPC313449 |
Remote Similarity | 0.5706 | NPC83214 |
Remote Similarity | 0.5706 | NPC49217 |
Remote Similarity | 0.5695 | NPC264580 |
Remote Similarity | 0.5693 | NPC108339 |
Remote Similarity | 0.569 | NPC477591 |
Remote Similarity | 0.5674 | NPC291610 |
Remote Similarity | 0.5674 | NPC329375 |
Remote Similarity | 0.5673 | NPC117032 |
Remote Similarity | 0.5671 | NPC207554 |
Remote Similarity | 0.5669 | NPC469949 |
Remote Similarity | 0.5667 | NPC147957 |
Remote Similarity | 0.5664 | NPC313810 |
Remote Similarity | 0.5636 | NPC2823 |
Remote Similarity | 0.5636 | NPC471574 |
Remote Similarity | 0.5634 | NPC471310 |
Remote Similarity | 0.5634 | NPC474430 |
Remote Similarity | 0.5629 | NPC477890 |
Remote Similarity | 0.5622 | NPC83381 |
Molecular Weight   | 255.00 |
ALogP   | 0.6124 |
MLogP   | 1.9 |
XLogP   | 1.989 |
HDA   | 4 |
HBD   | 1 |
Rotatable Bonds   | 3 |
TPSA   | 48.19 |
RO5 Violation   | 0 |