Drug ID:   | NPD581 |
Drug Name:   | Dexrazoxane Hydrochloride |
Molecular Formula:   | C11H16N4O4.ClH |
Canonical SMILES:   | OC1=NC(=O)CN(C1)C[C@@H](N1CC(=NC(=O)C1)O)C.Cl |
Standard InCHI:   | InChI=1S/C11H16N4O4.ClH/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14;/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19);1H/t7-;/m0./s1 |
Standard InCHIKey:   | BIFMNMPSIYHKDN-FJXQXJEOSA-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 |
---|---|---|
Remote Similarity | 0.6716 | NPC128005 |
Remote Similarity | 0.6716 | NPC84182 |
Remote Similarity | 0.6515 | NPC243964 |
Remote Similarity | 0.6479 | NPC76297 |
Remote Similarity | 0.6479 | NPC196007 |
Remote Similarity | 0.6479 | NPC214532 |
Remote Similarity | 0.6301 | NPC256312 |
Remote Similarity | 0.6301 | NPC209156 |
Remote Similarity | 0.6301 | NPC266888 |
Remote Similarity | 0.6301 | NPC161774 |
Remote Similarity | 0.6081 | NPC126186 |
Remote Similarity | 0.6027 | NPC470781 |
Remote Similarity | 0.5926 | NPC25237 |
Remote Similarity | 0.5921 | NPC470782 |
Remote Similarity | 0.5897 | NPC312315 |
Remote Similarity | 0.5821 | NPC326633 |
Remote Similarity | 0.575 | NPC470783 |
Remote Similarity | 0.5696 | NPC31756 |
Remote Similarity | 0.5679 | NPC84128 |
Remote Similarity | 0.5679 | NPC53858 |
Remote Similarity | 0.5679 | NPC284456 |
Remote Similarity | 0.5625 | NPC476156 |
Remote Similarity | 0.5625 | NPC476243 |
Remote Similarity | 0.5625 | NPC476137 |
Remote Similarity | 0.5625 | NPC476117 |
Molecular Weight   | 268.12 |
ALogP   | -2.4709 |
MLogP   | 1.79 |
XLogP   | -1.3 |
HDA   | 8 |
HBD   | 2 |
Rotatable Bonds   | 6 |
TPSA   | 105.8 |
RO5 Violation   | 0 |