Drug ID:   | NPD1501 |
Drug Name:   | |
Molecular Formula:   | C15H10ClF3O3 |
Canonical SMILES:   | Clc1ccc(cc1)C(C(=O)O)Oc1cccc(c1)C(F)(F)F |
Standard InCHI:   | InChI=1S/C15H10ClF3O3/c16-11-6-4-9(5-7-11)13(14(20)21)22-12-3-1-2-10(8-12)15(17,18)19/h1-8,13H,(H,20,21) |
Standard InCHIKey:   | DDTQLPXXNHLBAB-UHFFFAOYSA-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 | 0.7762 | NPC11173 |
Intermediate Similarity | 0.7746 | NPC241354 |
Intermediate Similarity | 0.7635 | NPC86087 |
Intermediate Similarity | 0.7556 | NPC51345 |
Intermediate Similarity | 0.7517 | NPC284409 |
Intermediate Similarity | 0.75 | NPC160378 |
Intermediate Similarity | 0.75 | NPC27198 |
Intermediate Similarity | 0.7483 | NPC182475 |
Intermediate Similarity | 0.7467 | NPC289690 |
Intermediate Similarity | 0.7467 | NPC288452 |
Intermediate Similarity | 0.7426 | NPC322358 |
Intermediate Similarity | 0.7391 | NPC205502 |
Intermediate Similarity | 0.7376 | NPC90577 |
Intermediate Similarity | 0.7368 | NPC234639 |
Intermediate Similarity | 0.7347 | NPC273984 |
Intermediate Similarity | 0.7343 | NPC88403 |
Intermediate Similarity | 0.7343 | NPC280767 |
Intermediate Similarity | 0.7343 | NPC3221 |
Intermediate Similarity | 0.7324 | NPC320287 |
Intermediate Similarity | 0.731 | NPC226661 |
Intermediate Similarity | 0.7305 | NPC194416 |
Intermediate Similarity | 0.7305 | NPC177291 |
Intermediate Similarity | 0.7297 | NPC129889 |
Intermediate Similarity | 0.7297 | NPC307006 |
Intermediate Similarity | 0.7279 | NPC109241 |
Intermediate Similarity | 0.7279 | NPC198388 |
Intermediate Similarity | 0.7273 | NPC304956 |
Intermediate Similarity | 0.7273 | NPC111088 |
Intermediate Similarity | 0.7273 | NPC473090 |
Intermediate Similarity | 0.7254 | NPC151237 |
Intermediate Similarity | 0.7248 | NPC5310 |
Intermediate Similarity | 0.7248 | NPC4982 |
Intermediate Similarity | 0.7248 | NPC176814 |
Intermediate Similarity | 0.7248 | NPC68779 |
Intermediate Similarity | 0.7248 | NPC300776 |
Intermediate Similarity | 0.7246 | NPC316062 |
Intermediate Similarity | 0.7233 | NPC282294 |
Intermediate Similarity | 0.723 | NPC25581 |
Intermediate Similarity | 0.723 | NPC5419 |
Intermediate Similarity | 0.723 | NPC18074 |
Intermediate Similarity | 0.723 | NPC61 |
Intermediate Similarity | 0.7226 | NPC53884 |
Intermediate Similarity | 0.7226 | NPC258671 |
Intermediate Similarity | 0.7215 | NPC221091 |
Intermediate Similarity | 0.7215 | NPC259576 |
Intermediate Similarity | 0.7214 | NPC234956 |
Intermediate Similarity | 0.7214 | NPC264976 |
Intermediate Similarity | 0.7206 | NPC48525 |
Intermediate Similarity | 0.7203 | NPC473942 |
Intermediate Similarity | 0.72 | NPC476018 |
Intermediate Similarity | 0.72 | NPC475029 |
Intermediate Similarity | 0.7194 | NPC240664 |
Intermediate Similarity | 0.7181 | NPC155209 |
Intermediate Similarity | 0.7181 | NPC168799 |
Intermediate Similarity | 0.717 | NPC300329 |
Intermediate Similarity | 0.7153 | NPC288945 |
Intermediate Similarity | 0.7152 | NPC90431 |
Intermediate Similarity | 0.7143 | NPC31751 |
Intermediate Similarity | 0.7143 | NPC204617 |
Intermediate Similarity | 0.7143 | NPC471033 |
Intermediate Similarity | 0.7143 | NPC253481 |
Intermediate Similarity | 0.7143 | NPC164599 |
Intermediate Similarity | 0.7143 | NPC311091 |
Intermediate Similarity | 0.7143 | NPC473247 |
Intermediate Similarity | 0.7143 | NPC1065 |
Intermediate Similarity | 0.7143 | NPC253722 |
Intermediate Similarity | 0.7134 | NPC221383 |
Intermediate Similarity | 0.7134 | NPC299090 |
Intermediate Similarity | 0.7134 | NPC283081 |
Intermediate Similarity | 0.7134 | NPC143892 |
Intermediate Similarity | 0.7133 | NPC144662 |
Intermediate Similarity | 0.7132 | NPC233238 |
Intermediate Similarity | 0.7123 | NPC281020 |
Intermediate Similarity | 0.7123 | NPC223807 |
Intermediate Similarity | 0.7114 | NPC66643 |
Intermediate Similarity | 0.7114 | NPC269421 |
Intermediate Similarity | 0.7111 | NPC259554 |
Intermediate Similarity | 0.7103 | NPC257589 |
Intermediate Similarity | 0.7103 | NPC53305 |
Intermediate Similarity | 0.7095 | NPC137427 |
Intermediate Similarity | 0.7095 | NPC123196 |
Intermediate Similarity | 0.7095 | NPC65935 |
Intermediate Similarity | 0.7095 | NPC30390 |
Intermediate Similarity | 0.7095 | NPC215941 |
Intermediate Similarity | 0.7095 | NPC319282 |
Intermediate Similarity | 0.7095 | NPC275724 |
Intermediate Similarity | 0.7095 | NPC244246 |
Intermediate Similarity | 0.7095 | NPC311419 |
Intermediate Similarity | 0.7092 | NPC299406 |
Intermediate Similarity | 0.7089 | NPC472969 |
Intermediate Similarity | 0.7086 | NPC113295 |
Intermediate Similarity | 0.7083 | NPC93730 |
Intermediate Similarity | 0.7083 | NPC279379 |
Intermediate Similarity | 0.7083 | NPC14141 |
Intermediate Similarity | 0.708 | NPC266116 |
Intermediate Similarity | 0.7078 | NPC326065 |
Intermediate Similarity | 0.7078 | NPC100675 |
Intermediate Similarity | 0.7077 | NPC132725 |
Intermediate Similarity | 0.7075 | NPC201419 |
Intermediate Similarity | 0.7075 | NPC110313 |
Intermediate Similarity | 0.7071 | NPC45104 |
Intermediate Similarity | 0.7067 | NPC475468 |
Intermediate Similarity | 0.7063 | NPC127389 |
Intermediate Similarity | 0.7063 | NPC290451 |
Intermediate Similarity | 0.7059 | NPC474943 |
Intermediate Similarity | 0.7059 | NPC475028 |
Intermediate Similarity | 0.7059 | NPC476025 |
Intermediate Similarity | 0.7059 | NPC475005 |
Intermediate Similarity | 0.7055 | NPC213552 |
Intermediate Similarity | 0.7055 | NPC313922 |
Intermediate Similarity | 0.7055 | NPC303680 |
Intermediate Similarity | 0.7055 | NPC90128 |
Intermediate Similarity | 0.7055 | NPC92207 |
Intermediate Similarity | 0.7055 | NPC120225 |
Intermediate Similarity | 0.7055 | NPC179777 |
Intermediate Similarity | 0.7055 | NPC84076 |
Intermediate Similarity | 0.7055 | NPC127937 |
Intermediate Similarity | 0.7047 | NPC108553 |
Intermediate Similarity | 0.7047 | NPC104854 |
Intermediate Similarity | 0.7047 | NPC193334 |
Intermediate Similarity | 0.7044 | NPC476394 |
Intermediate Similarity | 0.7044 | NPC98809 |
Intermediate Similarity | 0.7042 | NPC474874 |
Intermediate Similarity | 0.7039 | NPC64230 |
Intermediate Similarity | 0.7039 | NPC71638 |
Intermediate Similarity | 0.7029 | NPC303522 |
Intermediate Similarity | 0.7027 | NPC238309 |
Intermediate Similarity | 0.7021 | NPC293424 |
Intermediate Similarity | 0.702 | NPC34456 |
Intermediate Similarity | 0.702 | NPC471110 |
Intermediate Similarity | 0.7019 | NPC470085 |
Intermediate Similarity | 0.7019 | NPC470086 |
Intermediate Similarity | 0.7014 | NPC291189 |
Intermediate Similarity | 0.7014 | NPC71090 |
Intermediate Similarity | 0.7014 | NPC69403 |
Intermediate Similarity | 0.7013 | NPC147379 |
Intermediate Similarity | 0.7013 | NPC475045 |
Intermediate Similarity | 0.7007 | NPC151167 |
Intermediate Similarity | 0.7007 | NPC123722 |
Intermediate Similarity | 0.7007 | NPC276466 |
Intermediate Similarity | 0.7007 | NPC123228 |
Intermediate Similarity | 0.7007 | NPC5018 |
Intermediate Similarity | 0.7007 | NPC158282 |
Intermediate Similarity | 0.7 | NPC473091 |
Intermediate Similarity | 0.7 | NPC128249 |
Remote Similarity | 0.6993 | NPC279676 |
Remote Similarity | 0.6993 | NPC67349 |
Remote Similarity | 0.6987 | NPC242756 |
Remote Similarity | 0.6986 | NPC87113 |
Remote Similarity | 0.6986 | NPC4164 |
Remote Similarity | 0.6986 | NPC289459 |
Remote Similarity | 0.6985 | NPC326187 |
Remote Similarity | 0.6981 | NPC92054 |
Remote Similarity | 0.6981 | NPC4958 |
Remote Similarity | 0.6981 | NPC140722 |
Remote Similarity | 0.698 | NPC172673 |
Remote Similarity | 0.6978 | NPC235250 |
Remote Similarity | 0.6974 | NPC475011 |
Remote Similarity | 0.6968 | NPC475063 |
Remote Similarity | 0.6968 | NPC166137 |
Remote Similarity | 0.6968 | NPC282291 |
Remote Similarity | 0.6968 | NPC29599 |
Remote Similarity | 0.6968 | NPC475044 |
Remote Similarity | 0.6966 | NPC471466 |
Remote Similarity | 0.6966 | NPC244876 |
Remote Similarity | 0.6963 | NPC194034 |
Remote Similarity | 0.6959 | NPC2596 |
Remote Similarity | 0.6959 | NPC217431 |
Remote Similarity | 0.6957 | NPC475890 |
Remote Similarity | 0.6954 | NPC470871 |
Remote Similarity | 0.695 | NPC86947 |
Remote Similarity | 0.695 | NPC76308 |
Remote Similarity | 0.695 | NPC325295 |
Remote Similarity | 0.695 | NPC161768 |
Remote Similarity | 0.6944 | NPC314329 |
Remote Similarity | 0.6944 | NPC472271 |
Remote Similarity | 0.6944 | NPC201777 |
Remote Similarity | 0.694 | NPC473855 |
Remote Similarity | 0.6939 | NPC474476 |
Remote Similarity | 0.6939 | NPC8058 |
Remote Similarity | 0.6937 | NPC111785 |
Remote Similarity | 0.6937 | NPC237904 |
Remote Similarity | 0.6937 | NPC218569 |
Remote Similarity | 0.6933 | NPC474246 |
Remote Similarity | 0.6933 | NPC324488 |
Remote Similarity | 0.6933 | NPC318799 |
Remote Similarity | 0.6933 | NPC474143 |
Remote Similarity | 0.6928 | NPC471744 |
Remote Similarity | 0.6928 | NPC471664 |
Remote Similarity | 0.6928 | NPC471719 |
Remote Similarity | 0.6928 | NPC471665 |
Remote Similarity | 0.6923 | NPC184053 |
Remote Similarity | 0.6923 | NPC65833 |
Remote Similarity | 0.6923 | NPC245219 |
Remote Similarity | 0.6923 | NPC31081 |
Remote Similarity | 0.6918 | NPC48990 |
Remote Similarity | 0.6918 | NPC89630 |
Remote Similarity | 0.6918 | NPC94276 |
Remote Similarity | 0.6918 | NPC109822 |
Remote Similarity | 0.6918 | NPC221798 |
Molecular Weight   | 330.03 |
ALogP   | 1.2914 |
MLogP   | 2.34 |
XLogP   | 5.322 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 10 |
TPSA   | 46.53 |
RO5 Violation   | 1 |