Drug ID:   | NPD1270 |
Drug Name:   | Metyrapone |
Molecular Formula:   | C14H14N2O |
Canonical SMILES:   | O=C(C(c1cccnc1)(C)C)c1cccnc1 |
Standard InCHI:   | InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3 |
Standard InCHIKey:   | FJLBFSROUSIWMA-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
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 | 0.86 | NPC70406 |
High Similarity | 0.8523 | NPC105811 |
High Similarity | 0.8516 | NPC265100 |
High Similarity | 0.8514 | NPC467188 |
Intermediate Similarity | 0.8421 | NPC251391 |
Intermediate Similarity | 0.8411 | NPC313889 |
Intermediate Similarity | 0.8239 | NPC70949 |
Intermediate Similarity | 0.8239 | NPC471589 |
Intermediate Similarity | 0.8224 | NPC123906 |
Intermediate Similarity | 0.8205 | NPC80681 |
Intermediate Similarity | 0.8129 | NPC229055 |
Intermediate Similarity | 0.8129 | NPC209362 |
Intermediate Similarity | 0.8077 | NPC74357 |
Intermediate Similarity | 0.8025 | NPC213914 |
Intermediate Similarity | 0.8 | NPC470679 |
Intermediate Similarity | 0.8 | NPC217021 |
Intermediate Similarity | 0.7939 | NPC157583 |
Intermediate Similarity | 0.7939 | NPC237188 |
Intermediate Similarity | 0.7935 | NPC473878 |
Intermediate Similarity | 0.7875 | NPC242116 |
Intermediate Similarity | 0.7844 | NPC73994 |
Intermediate Similarity | 0.78 | NPC65408 |
Intermediate Similarity | 0.7798 | NPC191415 |
Intermediate Similarity | 0.7786 | NPC91958 |
Intermediate Similarity | 0.773 | NPC114637 |
Intermediate Similarity | 0.7725 | NPC83774 |
Intermediate Similarity | 0.7711 | NPC469529 |
Intermediate Similarity | 0.7708 | NPC476322 |
Intermediate Similarity | 0.7702 | NPC470680 |
Intermediate Similarity | 0.7702 | NPC100104 |
Intermediate Similarity | 0.767 | NPC128244 |
Intermediate Similarity | 0.7651 | NPC330326 |
Intermediate Similarity | 0.764 | NPC474492 |
Intermediate Similarity | 0.7633 | NPC61011 |
Intermediate Similarity | 0.7619 | NPC284775 |
Intermediate Similarity | 0.7613 | NPC230085 |
Intermediate Similarity | 0.7613 | NPC159630 |
Intermediate Similarity | 0.76 | NPC216550 |
Intermediate Similarity | 0.758 | NPC100726 |
Intermediate Similarity | 0.7561 | NPC42372 |
Intermediate Similarity | 0.7535 | NPC143603 |
Intermediate Similarity | 0.7534 | NPC146373 |
Intermediate Similarity | 0.7534 | NPC166424 |
Intermediate Similarity | 0.7534 | NPC245244 |
Intermediate Similarity | 0.7529 | NPC255909 |
Intermediate Similarity | 0.7529 | NPC103119 |
Intermediate Similarity | 0.7529 | NPC471997 |
Intermediate Similarity | 0.7517 | NPC290094 |
Intermediate Similarity | 0.7517 | NPC69914 |
Intermediate Similarity | 0.7515 | NPC56233 |
Intermediate Similarity | 0.7514 | NPC118084 |
Intermediate Similarity | 0.75 | NPC46895 |
Intermediate Similarity | 0.75 | NPC107287 |
Intermediate Similarity | 0.75 | NPC293216 |
Intermediate Similarity | 0.75 | NPC477003 |
Intermediate Similarity | 0.75 | NPC467063 |
Intermediate Similarity | 0.7468 | NPC112741 |
Intermediate Similarity | 0.7465 | NPC297486 |
Intermediate Similarity | 0.7465 | NPC471402 |
Intermediate Similarity | 0.7465 | NPC240136 |
Intermediate Similarity | 0.7464 | NPC27802 |
Intermediate Similarity | 0.7458 | NPC326422 |
Intermediate Similarity | 0.7452 | NPC167400 |
Intermediate Similarity | 0.745 | NPC476131 |
Intermediate Similarity | 0.7448 | NPC329825 |
Intermediate Similarity | 0.7443 | NPC476460 |
Intermediate Similarity | 0.7442 | NPC102755 |
Intermediate Similarity | 0.7438 | NPC472260 |
Intermediate Similarity | 0.7417 | NPC322488 |
Intermediate Similarity | 0.7383 | NPC313823 |
Intermediate Similarity | 0.7383 | NPC89490 |
Intermediate Similarity | 0.7381 | NPC249614 |
Intermediate Similarity | 0.7379 | NPC182570 |
Intermediate Similarity | 0.7379 | NPC48564 |
Intermediate Similarity | 0.7379 | NPC265605 |
Intermediate Similarity | 0.7375 | NPC471655 |
Intermediate Similarity | 0.7365 | NPC169625 |
Intermediate Similarity | 0.7365 | NPC202957 |
Intermediate Similarity | 0.736 | NPC304203 |
Intermediate Similarity | 0.7351 | NPC256893 |
Intermediate Similarity | 0.7346 | NPC263455 |
Intermediate Similarity | 0.7338 | NPC114310 |
Intermediate Similarity | 0.7337 | NPC289086 |
Intermediate Similarity | 0.7333 | NPC475105 |
Intermediate Similarity | 0.7333 | NPC475090 |
Intermediate Similarity | 0.7333 | NPC329896 |
Intermediate Similarity | 0.7315 | NPC471311 |
Intermediate Similarity | 0.7315 | NPC471313 |
Intermediate Similarity | 0.7308 | NPC121327 |
Intermediate Similarity | 0.7284 | NPC312860 |
Intermediate Similarity | 0.7283 | NPC470677 |
Intermediate Similarity | 0.7253 | NPC81535 |
Intermediate Similarity | 0.725 | NPC477974 |
Intermediate Similarity | 0.7246 | NPC233380 |
Intermediate Similarity | 0.7246 | NPC76540 |
Intermediate Similarity | 0.7238 | NPC106824 |
Intermediate Similarity | 0.7238 | NPC167710 |
Intermediate Similarity | 0.7237 | NPC101165 |
Intermediate Similarity | 0.7229 | NPC214106 |
Intermediate Similarity | 0.7228 | NPC106757 |
Intermediate Similarity | 0.7228 | NPC143977 |
Intermediate Similarity | 0.7225 | NPC477042 |
Intermediate Similarity | 0.7222 | NPC135950 |
Intermediate Similarity | 0.7212 | NPC293487 |
Intermediate Similarity | 0.7202 | NPC41717 |
Intermediate Similarity | 0.7198 | NPC34837 |
Intermediate Similarity | 0.7193 | NPC139763 |
Intermediate Similarity | 0.7189 | NPC317701 |
Intermediate Similarity | 0.7186 | NPC274981 |
Intermediate Similarity | 0.7186 | NPC478182 |
Intermediate Similarity | 0.7171 | NPC282398 |
Intermediate Similarity | 0.7168 | NPC164340 |
Intermediate Similarity | 0.7162 | NPC46358 |
Intermediate Similarity | 0.7159 | NPC282103 |
Intermediate Similarity | 0.7158 | NPC284338 |
Intermediate Similarity | 0.7158 | NPC237414 |
Intermediate Similarity | 0.7151 | NPC114974 |
Intermediate Similarity | 0.7151 | NPC88115 |
Intermediate Similarity | 0.7151 | NPC151635 |
Intermediate Similarity | 0.7143 | NPC115232 |
Intermediate Similarity | 0.7126 | NPC194881 |
Intermediate Similarity | 0.7124 | NPC324611 |
Intermediate Similarity | 0.7115 | NPC314102 |
Intermediate Similarity | 0.7115 | NPC251722 |
Intermediate Similarity | 0.7114 | NPC27740 |
Intermediate Similarity | 0.7112 | NPC472065 |
Intermediate Similarity | 0.7111 | NPC272458 |
Intermediate Similarity | 0.7099 | NPC102664 |
Intermediate Similarity | 0.7095 | NPC154339 |
Intermediate Similarity | 0.7095 | NPC469489 |
Intermediate Similarity | 0.7083 | NPC271797 |
Intermediate Similarity | 0.7083 | NPC21174 |
Intermediate Similarity | 0.7083 | NPC478184 |
Intermediate Similarity | 0.7076 | NPC262338 |
Intermediate Similarity | 0.7072 | NPC267343 |
Intermediate Similarity | 0.7069 | NPC248462 |
Intermediate Similarity | 0.7065 | NPC103361 |
Intermediate Similarity | 0.7062 | NPC319556 |
Intermediate Similarity | 0.7043 | NPC472069 |
Intermediate Similarity | 0.7043 | NPC472063 |
Intermediate Similarity | 0.7043 | NPC472062 |
Intermediate Similarity | 0.7043 | NPC328318 |
Intermediate Similarity | 0.7043 | NPC328596 |
Intermediate Similarity | 0.7039 | NPC44354 |
Intermediate Similarity | 0.7031 | NPC165837 |
Intermediate Similarity | 0.7025 | NPC315348 |
Intermediate Similarity | 0.7025 | NPC32002 |
Intermediate Similarity | 0.7025 | NPC316811 |
Intermediate Similarity | 0.7024 | NPC478185 |
Intermediate Similarity | 0.7021 | NPC472064 |
Intermediate Similarity | 0.7019 | NPC86288 |
Intermediate Similarity | 0.7017 | NPC56170 |
Intermediate Similarity | 0.7013 | NPC471322 |
Intermediate Similarity | 0.7011 | NPC474916 |
Intermediate Similarity | 0.7006 | NPC113812 |
Intermediate Similarity | 0.7006 | NPC207851 |
Intermediate Similarity | 0.7006 | NPC110158 |
Intermediate Similarity | 0.7 | NPC324091 |
Intermediate Similarity | 0.7 | NPC478183 |
Remote Similarity | 0.6995 | NPC109922 |
Remote Similarity | 0.6995 | NPC472116 |
Remote Similarity | 0.6993 | NPC235843 |
Remote Similarity | 0.6987 | NPC291517 |
Remote Similarity | 0.6977 | NPC273532 |
Remote Similarity | 0.6973 | NPC477004 |
Remote Similarity | 0.6968 | NPC327592 |
Remote Similarity | 0.6961 | NPC138370 |
Remote Similarity | 0.6959 | NPC207531 |
Remote Similarity | 0.6951 | NPC40070 |
Remote Similarity | 0.6949 | NPC159125 |
Remote Similarity | 0.6946 | NPC129721 |
Remote Similarity | 0.694 | NPC202812 |
Remote Similarity | 0.6936 | NPC252572 |
Remote Similarity | 0.6933 | NPC470111 |
Remote Similarity | 0.6931 | NPC317373 |
Remote Similarity | 0.6927 | NPC17273 |
Remote Similarity | 0.6927 | NPC135601 |
Remote Similarity | 0.6927 | NPC141612 |
Remote Similarity | 0.6923 | NPC206343 |
Remote Similarity | 0.6923 | NPC477908 |
Remote Similarity | 0.6923 | NPC47190 |
Remote Similarity | 0.6919 | NPC91895 |
Remote Similarity | 0.6919 | NPC32534 |
Remote Similarity | 0.6911 | NPC472752 |
Remote Similarity | 0.691 | NPC285923 |
Remote Similarity | 0.6909 | NPC470233 |
Remote Similarity | 0.6904 | NPC477901 |
Remote Similarity | 0.6902 | NPC79356 |
Remote Similarity | 0.6902 | NPC102592 |
Remote Similarity | 0.6899 | NPC471312 |
Remote Similarity | 0.6899 | NPC472288 |
Remote Similarity | 0.6894 | NPC190296 |
Remote Similarity | 0.6889 | NPC278434 |
Remote Similarity | 0.6883 | NPC71236 |
Remote Similarity | 0.6882 | NPC474767 |
Remote Similarity | 0.6882 | NPC123395 |
Remote Similarity | 0.6875 | NPC12649 |
Remote Similarity | 0.6872 | NPC133003 |
Remote Similarity | 0.6867 | NPC138842 |
Remote Similarity | 0.6867 | NPC281094 |
Molecular Weight   | 226.11 |
ALogP   | 0.6504 |
MLogP   | 2.67 |
XLogP   | 2.105 |
HDA   | 3 |
HBD   | 0 |
Rotatable Bonds   | 5 |
TPSA   | 42.85 |
RO5 Violation   | 0 |