Drug Information

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

  Structural Similarity Between NPASS Natural Products and NPD1270

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.


  Similar Natural Products

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

Drug Structure

External Identifiers

TTD   DAP000424
DrugBank   DB01011
ChEMBL   CHEMBL934
IUPHAR/BPS   5224
PharmaGKB   PA450486
KEGG Drug   D00410
PubChem CID   4174
ChEBI   44241
CAS Number  54-36-4

Drug Properties

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