Drug ID:   | NPD3597 |
Drug Name:   | |
Molecular Formula:   | C19H25NO2 |
Canonical SMILES:   | OC(COc1ccccc1c1ccccc1)CNC(C)(C)C |
Standard InCHI:   | InChI=1S/C19H25NO2/c1-19(2,3)20-13-16(21)14-22-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-12,16,20-21H,13-14H2,1-3H3 |
Standard InCHIKey:   | DBHPVKNFKBKJCE-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 |
---|---|---|
High Similarity | 0.9389 | NPC318591 |
High Similarity | 0.9389 | NPC231163 |
High Similarity | 0.9286 | NPC141739 |
High Similarity | 0.9286 | NPC136112 |
High Similarity | 0.8984 | NPC320242 |
High Similarity | 0.8582 | NPC307123 |
High Similarity | 0.8582 | NPC247018 |
High Similarity | 0.8582 | NPC97870 |
Intermediate Similarity | 0.812 | NPC328267 |
Intermediate Similarity | 0.7972 | NPC204546 |
Intermediate Similarity | 0.7638 | NPC194034 |
Intermediate Similarity | 0.7591 | NPC255253 |
Intermediate Similarity | 0.7557 | NPC26524 |
Intermediate Similarity | 0.7556 | NPC321133 |
Intermediate Similarity | 0.7468 | NPC2295 |
Intermediate Similarity | 0.7468 | NPC477564 |
Intermediate Similarity | 0.7426 | NPC263835 |
Intermediate Similarity | 0.7422 | NPC326801 |
Intermediate Similarity | 0.7385 | NPC474272 |
Intermediate Similarity | 0.7364 | NPC186469 |
Intermediate Similarity | 0.7353 | NPC163036 |
Intermediate Similarity | 0.7353 | NPC256369 |
Intermediate Similarity | 0.7344 | NPC470393 |
Intermediate Similarity | 0.7319 | NPC290451 |
Intermediate Similarity | 0.7319 | NPC127389 |
Intermediate Similarity | 0.7297 | NPC189724 |
Intermediate Similarity | 0.7297 | NPC83289 |
Intermediate Similarity | 0.7297 | NPC212850 |
Intermediate Similarity | 0.7293 | NPC35344 |
Intermediate Similarity | 0.7293 | NPC141003 |
Intermediate Similarity | 0.729 | NPC206372 |
Intermediate Similarity | 0.729 | NPC203424 |
Intermediate Similarity | 0.7286 | NPC62101 |
Intermediate Similarity | 0.7286 | NPC95733 |
Intermediate Similarity | 0.7266 | NPC108875 |
Intermediate Similarity | 0.7266 | NPC150026 |
Intermediate Similarity | 0.7266 | NPC298486 |
Intermediate Similarity | 0.7266 | NPC38079 |
Intermediate Similarity | 0.7266 | NPC71090 |
Intermediate Similarity | 0.7266 | NPC188997 |
Intermediate Similarity | 0.725 | NPC124433 |
Intermediate Similarity | 0.725 | NPC293871 |
Intermediate Similarity | 0.7248 | NPC323204 |
Intermediate Similarity | 0.7246 | NPC473875 |
Intermediate Similarity | 0.7244 | NPC233926 |
Intermediate Similarity | 0.7234 | NPC29477 |
Intermediate Similarity | 0.7234 | NPC81641 |
Intermediate Similarity | 0.7226 | NPC76213 |
Intermediate Similarity | 0.7226 | NPC277669 |
Intermediate Similarity | 0.7214 | NPC211218 |
Intermediate Similarity | 0.7214 | NPC474130 |
Intermediate Similarity | 0.7214 | NPC261992 |
Intermediate Similarity | 0.7208 | NPC60538 |
Intermediate Similarity | 0.7208 | NPC207824 |
Intermediate Similarity | 0.7203 | NPC87224 |
Intermediate Similarity | 0.7203 | NPC222572 |
Intermediate Similarity | 0.7197 | NPC46844 |
Intermediate Similarity | 0.7197 | NPC95977 |
Intermediate Similarity | 0.7194 | NPC211992 |
Intermediate Similarity | 0.7188 | NPC192596 |
Intermediate Similarity | 0.7185 | NPC10286 |
Intermediate Similarity | 0.7185 | NPC213 |
Intermediate Similarity | 0.7176 | NPC97811 |
Intermediate Similarity | 0.7172 | NPC103799 |
Intermediate Similarity | 0.7165 | NPC316797 |
Intermediate Similarity | 0.7163 | NPC114901 |
Intermediate Similarity | 0.7163 | NPC48990 |
Intermediate Similarity | 0.7163 | NPC293701 |
Intermediate Similarity | 0.7163 | NPC109822 |
Intermediate Similarity | 0.7163 | NPC94276 |
Intermediate Similarity | 0.7161 | NPC47672 |
Intermediate Similarity | 0.7154 | NPC113457 |
Intermediate Similarity | 0.7153 | NPC474214 |
Intermediate Similarity | 0.7153 | NPC329980 |
Intermediate Similarity | 0.7153 | NPC283616 |
Intermediate Similarity | 0.7153 | NPC474040 |
Intermediate Similarity | 0.7152 | NPC160931 |
Intermediate Similarity | 0.7152 | NPC37205 |
Intermediate Similarity | 0.7152 | NPC29647 |
Intermediate Similarity | 0.7143 | NPC478085 |
Intermediate Similarity | 0.7143 | NPC36016 |
Intermediate Similarity | 0.7143 | NPC46586 |
Intermediate Similarity | 0.7143 | NPC204535 |
Intermediate Similarity | 0.7143 | NPC184269 |
Intermediate Similarity | 0.7143 | NPC100099 |
Intermediate Similarity | 0.7132 | NPC154256 |
Intermediate Similarity | 0.7132 | NPC290470 |
Intermediate Similarity | 0.7124 | NPC245974 |
Intermediate Similarity | 0.7123 | NPC230219 |
Intermediate Similarity | 0.7122 | NPC207613 |
Intermediate Similarity | 0.7122 | NPC83279 |
Intermediate Similarity | 0.7122 | NPC318357 |
Intermediate Similarity | 0.7121 | NPC24777 |
Intermediate Similarity | 0.7113 | NPC194519 |
Intermediate Similarity | 0.7113 | NPC207179 |
Intermediate Similarity | 0.7113 | NPC167571 |
Intermediate Similarity | 0.7113 | NPC278552 |
Intermediate Similarity | 0.7109 | NPC51633 |
Intermediate Similarity | 0.7109 | NPC300166 |
Intermediate Similarity | 0.7107 | NPC79328 |
Intermediate Similarity | 0.7105 | NPC247298 |
Intermediate Similarity | 0.7103 | NPC326599 |
Intermediate Similarity | 0.7103 | NPC329595 |
Intermediate Similarity | 0.7103 | NPC143483 |
Intermediate Similarity | 0.7101 | NPC172253 |
Intermediate Similarity | 0.7101 | NPC59561 |
Intermediate Similarity | 0.7101 | NPC43275 |
Intermediate Similarity | 0.7101 | NPC474320 |
Intermediate Similarity | 0.7097 | NPC103379 |
Intermediate Similarity | 0.7097 | NPC477565 |
Intermediate Similarity | 0.7095 | NPC79957 |
Intermediate Similarity | 0.7092 | NPC76465 |
Intermediate Similarity | 0.7092 | NPC38761 |
Intermediate Similarity | 0.7092 | NPC307020 |
Intermediate Similarity | 0.709 | NPC115379 |
Intermediate Similarity | 0.7089 | NPC150670 |
Intermediate Similarity | 0.7083 | NPC283079 |
Intermediate Similarity | 0.7081 | NPC469479 |
Intermediate Similarity | 0.708 | NPC137096 |
Intermediate Similarity | 0.708 | NPC323948 |
Intermediate Similarity | 0.7078 | NPC476151 |
Intermediate Similarity | 0.7077 | NPC42383 |
Intermediate Similarity | 0.7075 | NPC475840 |
Intermediate Similarity | 0.7075 | NPC263064 |
Intermediate Similarity | 0.7075 | NPC26394 |
Intermediate Similarity | 0.7071 | NPC343720 |
Intermediate Similarity | 0.7071 | NPC312675 |
Intermediate Similarity | 0.7071 | NPC113865 |
Intermediate Similarity | 0.7071 | NPC324571 |
Intermediate Similarity | 0.7071 | NPC54872 |
Intermediate Similarity | 0.7071 | NPC262156 |
Intermediate Similarity | 0.7071 | NPC473853 |
Intermediate Similarity | 0.7071 | NPC184651 |
Intermediate Similarity | 0.7071 | NPC470212 |
Intermediate Similarity | 0.7067 | NPC477837 |
Intermediate Similarity | 0.7067 | NPC477838 |
Intermediate Similarity | 0.7063 | NPC191037 |
Intermediate Similarity | 0.7063 | NPC178284 |
Intermediate Similarity | 0.7063 | NPC22014 |
Intermediate Similarity | 0.7063 | NPC276212 |
Intermediate Similarity | 0.7063 | NPC58607 |
Intermediate Similarity | 0.7059 | NPC303370 |
Intermediate Similarity | 0.7059 | NPC313414 |
Intermediate Similarity | 0.7055 | NPC471953 |
Intermediate Similarity | 0.7055 | NPC274732 |
Intermediate Similarity | 0.7055 | NPC476573 |
Intermediate Similarity | 0.7055 | NPC118419 |
Intermediate Similarity | 0.7055 | NPC81247 |
Intermediate Similarity | 0.7055 | NPC35627 |
Intermediate Similarity | 0.7055 | NPC162801 |
Intermediate Similarity | 0.7055 | NPC195392 |
Intermediate Similarity | 0.705 | NPC232295 |
Intermediate Similarity | 0.7047 | NPC312770 |
Intermediate Similarity | 0.7047 | NPC209985 |
Intermediate Similarity | 0.7047 | NPC204848 |
Intermediate Similarity | 0.7047 | NPC29799 |
Intermediate Similarity | 0.7047 | NPC54743 |
Intermediate Similarity | 0.7047 | NPC263367 |
Intermediate Similarity | 0.7047 | NPC160607 |
Intermediate Similarity | 0.7047 | NPC41473 |
Intermediate Similarity | 0.7047 | NPC156502 |
Intermediate Similarity | 0.7047 | NPC177160 |
Intermediate Similarity | 0.7047 | NPC14600 |
Intermediate Similarity | 0.7047 | NPC193528 |
Intermediate Similarity | 0.7047 | NPC477939 |
Intermediate Similarity | 0.7047 | NPC10737 |
Intermediate Similarity | 0.7045 | NPC201959 |
Intermediate Similarity | 0.7044 | NPC170503 |
Intermediate Similarity | 0.7044 | NPC126519 |
Intermediate Similarity | 0.7044 | NPC203784 |
Intermediate Similarity | 0.7042 | NPC106914 |
Intermediate Similarity | 0.7042 | NPC86502 |
Intermediate Similarity | 0.7042 | NPC246648 |
Intermediate Similarity | 0.7042 | NPC197351 |
Intermediate Similarity | 0.7042 | NPC134195 |
Intermediate Similarity | 0.7027 | NPC193026 |
Intermediate Similarity | 0.7027 | NPC117048 |
Intermediate Similarity | 0.7027 | NPC187616 |
Intermediate Similarity | 0.7027 | NPC124085 |
Intermediate Similarity | 0.7027 | NPC49603 |
Intermediate Similarity | 0.7025 | NPC156311 |
Intermediate Similarity | 0.7023 | NPC92623 |
Intermediate Similarity | 0.7023 | NPC135464 |
Intermediate Similarity | 0.7021 | NPC471314 |
Intermediate Similarity | 0.7021 | NPC471315 |
Intermediate Similarity | 0.7021 | NPC85488 |
Intermediate Similarity | 0.7019 | NPC158900 |
Intermediate Similarity | 0.7015 | NPC166837 |
Intermediate Similarity | 0.7015 | NPC21890 |
Intermediate Similarity | 0.7014 | NPC319625 |
Intermediate Similarity | 0.7014 | NPC163332 |
Intermediate Similarity | 0.7014 | NPC98745 |
Intermediate Similarity | 0.7014 | NPC41706 |
Intermediate Similarity | 0.7014 | NPC147821 |
Intermediate Similarity | 0.7014 | NPC118787 |
Intermediate Similarity | 0.7014 | NPC292056 |
Intermediate Similarity | 0.7014 | NPC183181 |
Intermediate Similarity | 0.7014 | NPC111247 |
Intermediate Similarity | 0.7014 | NPC473993 |
Intermediate Similarity | 0.7014 | NPC474119 |
TTD   | DIB014568 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 299.19 |
ALogP   | -0.0284 |
MLogP   | 3.22 |
XLogP   | 5.824 |
HDA   | 2 |
HBD   | 2 |
Rotatable Bonds   | 11 |
TPSA   | 41.49 |
RO5 Violation   | 1 |