Drug ID:   | NPD372 |
Drug Name:   | |
Molecular Formula:   | C10H19Cl2NO5 |
Canonical SMILES:   | ClCCN(C[C@H]1OC(O)[C@@H]([C@H]([C@H]1O)O)O)CCCl |
Standard InCHI:   | InChI=1S/C10H19Cl2NO5/c11-1-3-13(4-2-12)5-6-7(14)8(15)9(16)10(17)18-6/h6-10,14-17H,1-5H2/t6-,7+,8+,9-,10?/m1/s1 |
Standard InCHIKey:   | COKGUJJIBXWRNV-CYNREMDZSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
Max Developmental Stage Source:   | TTD |
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 | 0.7531 | NPC150557 |
Intermediate Similarity | 0.7349 | NPC471420 |
Intermediate Similarity | 0.7229 | NPC70574 |
Intermediate Similarity | 0.7229 | NPC100204 |
Intermediate Similarity | 0.7229 | NPC83248 |
Intermediate Similarity | 0.7179 | NPC327753 |
Intermediate Similarity | 0.7179 | NPC223174 |
Intermediate Similarity | 0.7179 | NPC327486 |
Intermediate Similarity | 0.7108 | NPC98750 |
Intermediate Similarity | 0.7059 | NPC271772 |
Intermediate Similarity | 0.7059 | NPC36927 |
Intermediate Similarity | 0.7013 | NPC129100 |
Intermediate Similarity | 0.7013 | NPC291650 |
Intermediate Similarity | 0.7013 | NPC322801 |
Remote Similarity | 0.6977 | NPC165119 |
Remote Similarity | 0.6842 | NPC163134 |
Remote Similarity | 0.6842 | NPC471419 |
Remote Similarity | 0.6786 | NPC314772 |
Remote Similarity | 0.6786 | NPC314968 |
Remote Similarity | 0.6757 | NPC170172 |
Remote Similarity | 0.6712 | NPC293551 |
Remote Similarity | 0.6709 | NPC34291 |
Remote Similarity | 0.6709 | NPC126664 |
Remote Similarity | 0.6706 | NPC316807 |
Remote Similarity | 0.6667 | NPC306838 |
Remote Similarity | 0.65 | NPC171850 |
Remote Similarity | 0.6437 | NPC318258 |
Remote Similarity | 0.6329 | NPC233034 |
Remote Similarity | 0.6316 | NPC471421 |
Remote Similarity | 0.6316 | NPC233364 |
Remote Similarity | 0.631 | NPC315806 |
Remote Similarity | 0.6296 | NPC471418 |
Remote Similarity | 0.6292 | NPC315969 |
Remote Similarity | 0.6282 | NPC218150 |
Remote Similarity | 0.6282 | NPC2432 |
Remote Similarity | 0.6282 | NPC306462 |
Remote Similarity | 0.6282 | NPC150680 |
Remote Similarity | 0.6282 | NPC22774 |
Remote Similarity | 0.6282 | NPC69669 |
Remote Similarity | 0.625 | NPC315980 |
Remote Similarity | 0.6222 | NPC263058 |
Remote Similarity | 0.622 | NPC268922 |
Remote Similarity | 0.6145 | NPC163538 |
Remote Similarity | 0.6145 | NPC115800 |
Remote Similarity | 0.6125 | NPC471780 |
Remote Similarity | 0.6125 | NPC142290 |
Remote Similarity | 0.6125 | NPC75435 |
Remote Similarity | 0.6125 | NPC198341 |
Remote Similarity | 0.6125 | NPC223386 |
Remote Similarity | 0.6125 | NPC471892 |
Remote Similarity | 0.6098 | NPC474469 |
Remote Similarity | 0.6071 | NPC476696 |
Remote Similarity | 0.6071 | NPC476694 |
Remote Similarity | 0.6071 | NPC476695 |
Remote Similarity | 0.6049 | NPC303798 |
Remote Similarity | 0.6049 | NPC286851 |
Remote Similarity | 0.6027 | NPC233726 |
Remote Similarity | 0.6027 | NPC23134 |
Remote Similarity | 0.6027 | NPC124963 |
Remote Similarity | 0.6027 | NPC326533 |
Remote Similarity | 0.6026 | NPC143326 |
Remote Similarity | 0.6024 | NPC473419 |
Remote Similarity | 0.6024 | NPC475127 |
Remote Similarity | 0.6024 | NPC475715 |
Remote Similarity | 0.6022 | NPC83839 |
Remote Similarity | 0.6 | NPC275727 |
Remote Similarity | 0.6 | NPC255377 |
Remote Similarity | 0.6 | NPC285364 |
Remote Similarity | 0.6 | NPC69445 |
Remote Similarity | 0.6 | NPC165846 |
Remote Similarity | 0.6 | NPC289758 |
Remote Similarity | 0.6 | NPC73906 |
Remote Similarity | 0.6 | NPC199857 |
Remote Similarity | 0.6 | NPC21209 |
Remote Similarity | 0.6 | NPC470284 |
Remote Similarity | 0.6 | NPC92246 |
Remote Similarity | 0.6 | NPC176017 |
Remote Similarity | 0.5976 | NPC141156 |
Remote Similarity | 0.5976 | NPC184150 |
Remote Similarity | 0.5957 | NPC313552 |
Remote Similarity | 0.5922 | NPC314387 |
Remote Similarity | 0.5915 | NPC277475 |
Remote Similarity | 0.5915 | NPC321087 |
Remote Similarity | 0.5914 | NPC476523 |
Remote Similarity | 0.5909 | NPC329077 |
Remote Similarity | 0.5904 | NPC254617 |
Remote Similarity | 0.5904 | NPC306763 |
Remote Similarity | 0.5904 | NPC266242 |
Remote Similarity | 0.5904 | NPC74555 |
Remote Similarity | 0.5897 | NPC193593 |
Remote Similarity | 0.5897 | NPC290106 |
Remote Similarity | 0.5897 | NPC143809 |
Remote Similarity | 0.5897 | NPC76726 |
Remote Similarity | 0.5895 | NPC470282 |
Remote Similarity | 0.5895 | NPC314408 |
Remote Similarity | 0.5895 | NPC43850 |
Remote Similarity | 0.5895 | NPC314007 |
Remote Similarity | 0.5895 | NPC214376 |
Remote Similarity | 0.5895 | NPC123746 |
Remote Similarity | 0.5895 | NPC477060 |
Remote Similarity | 0.5882 | NPC299603 |
Remote Similarity | 0.5882 | NPC285014 |
Remote Similarity | 0.5882 | NPC255535 |
Remote Similarity | 0.5882 | NPC315036 |
Remote Similarity | 0.5882 | NPC137554 |
Remote Similarity | 0.5882 | NPC56298 |
Remote Similarity | 0.5882 | NPC28959 |
Remote Similarity | 0.5882 | NPC471628 |
Remote Similarity | 0.5867 | NPC67660 |
Remote Similarity | 0.5867 | NPC130683 |
Remote Similarity | 0.5867 | NPC157514 |
Remote Similarity | 0.5867 | NPC323361 |
Remote Similarity | 0.5867 | NPC107914 |
Remote Similarity | 0.5867 | NPC165198 |
Remote Similarity | 0.5867 | NPC242073 |
Remote Similarity | 0.5867 | NPC269166 |
Remote Similarity | 0.5867 | NPC58629 |
Remote Similarity | 0.5867 | NPC246558 |
Remote Similarity | 0.5867 | NPC89145 |
Remote Similarity | 0.5867 | NPC145112 |
Remote Similarity | 0.5865 | NPC221148 |
Remote Similarity | 0.5854 | NPC12514 |
Remote Similarity | 0.5854 | NPC294883 |
Remote Similarity | 0.5833 | NPC14144 |
Remote Similarity | 0.5816 | NPC270005 |
Remote Similarity | 0.5816 | NPC208537 |
Remote Similarity | 0.5789 | NPC303727 |
Remote Similarity | 0.5783 | NPC59221 |
Remote Similarity | 0.5773 | NPC176381 |
Remote Similarity | 0.5773 | NPC195969 |
Remote Similarity | 0.5765 | NPC475694 |
Remote Similarity | 0.5765 | NPC473710 |
Remote Similarity | 0.5753 | NPC282143 |
Remote Similarity | 0.5753 | NPC157193 |
Remote Similarity | 0.5753 | NPC299781 |
Remote Similarity | 0.5753 | NPC42503 |
Remote Similarity | 0.5743 | NPC313821 |
Remote Similarity | 0.5714 | NPC70756 |
Remote Similarity | 0.5714 | NPC320240 |
Remote Similarity | 0.57 | NPC470283 |
Remote Similarity | 0.5676 | NPC323574 |
Remote Similarity | 0.567 | NPC292345 |
Remote Similarity | 0.5663 | NPC101746 |
Remote Similarity | 0.5663 | NPC116377 |
Remote Similarity | 0.5663 | NPC69798 |
Remote Similarity | 0.5663 | NPC473952 |
Remote Similarity | 0.5663 | NPC77191 |
Remote Similarity | 0.5648 | NPC149843 |
Remote Similarity | 0.5648 | NPC155087 |
Remote Similarity | 0.5644 | NPC330590 |
Remote Similarity | 0.5641 | NPC148424 |
Remote Similarity | 0.5632 | NPC474468 |
Remote Similarity | 0.56 | NPC315334 |
Molecular Weight   | 303.06 |
ALogP   | -0.5049 |
MLogP   | 1.68 |
XLogP   | -0.034 |
HDA   | 6 |
HBD   | 4 |
Rotatable Bonds   | 12 |
TPSA   | 93.39 |
RO5 Violation   | 0 |