Drug Information

Drug ID:  NPD556
Drug Name:  Methocarbamol
Molecular Formula:  C11H15NO5
Canonical SMILES:  COc1ccccc1OCC(COC(=N)O)O
Standard InCHI:  InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
Standard InCHIKey:  GNXFOGHNGIVQEH-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD556

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 0.9135 NPC41594
Intermediate Similarity 0.8416 NPC318429
Intermediate Similarity 0.8381 NPC314803
Intermediate Similarity 0.8261 NPC9248
Intermediate Similarity 0.819 NPC228907
Intermediate Similarity 0.8119 NPC206876
Intermediate Similarity 0.8 NPC114325
Intermediate Similarity 0.7983 NPC276195
Intermediate Similarity 0.787 NPC132725
Intermediate Similarity 0.7869 NPC221090
Intermediate Similarity 0.7869 NPC25817
Intermediate Similarity 0.7857 NPC194034
Intermediate Similarity 0.7851 NPC152722
Intermediate Similarity 0.7845 NPC142319
Intermediate Similarity 0.7838 NPC17537
Intermediate Similarity 0.7807 NPC46844
Intermediate Similarity 0.7787 NPC192810
Intermediate Similarity 0.7787 NPC217854
Intermediate Similarity 0.7742 NPC298845
Intermediate Similarity 0.7739 NPC55300
Intermediate Similarity 0.768 NPC37074
Intermediate Similarity 0.7679 NPC307875
Intermediate Similarity 0.7674 NPC264956
Intermediate Similarity 0.7672 NPC165646
Intermediate Similarity 0.7619 NPC247146
Intermediate Similarity 0.7619 NPC302378
Intermediate Similarity 0.76 NPC171533
Intermediate Similarity 0.76 NPC189589
Intermediate Similarity 0.76 NPC469622
Intermediate Similarity 0.7559 NPC166040
Intermediate Similarity 0.7559 NPC248355
Intermediate Similarity 0.7559 NPC270849
Intermediate Similarity 0.7559 NPC26653
Intermediate Similarity 0.7544 NPC258171
Intermediate Similarity 0.7544 NPC227894
Intermediate Similarity 0.75 NPC60756
Intermediate Similarity 0.75 NPC80600
Intermediate Similarity 0.75 NPC472024
Intermediate Similarity 0.7459 NPC60589
Intermediate Similarity 0.7459 NPC469708
Intermediate Similarity 0.7456 NPC232654
Intermediate Similarity 0.7442 NPC287780
Intermediate Similarity 0.744 NPC114901
Intermediate Similarity 0.744 NPC293701
Intermediate Similarity 0.744 NPC48990
Intermediate Similarity 0.7436 NPC139617
Intermediate Similarity 0.7436 NPC78918
Intermediate Similarity 0.7419 NPC71090
Intermediate Similarity 0.7411 NPC51633
Intermediate Similarity 0.7402 NPC469621
Intermediate Similarity 0.7402 NPC198798
Intermediate Similarity 0.7398 NPC199023
Intermediate Similarity 0.7398 NPC198734
Intermediate Similarity 0.7398 NPC469412
Intermediate Similarity 0.7398 NPC269242
Intermediate Similarity 0.7391 NPC124712
Intermediate Similarity 0.7385 NPC162093
Intermediate Similarity 0.7377 NPC37858
Intermediate Similarity 0.7377 NPC24474
Intermediate Similarity 0.7377 NPC311595
Intermediate Similarity 0.7377 NPC135961
Intermediate Similarity 0.7373 NPC115379
Intermediate Similarity 0.7364 NPC208769
Intermediate Similarity 0.735 NPC137685
Intermediate Similarity 0.7345 NPC192596
Intermediate Similarity 0.7339 NPC470804
Intermediate Similarity 0.7339 NPC226712
Intermediate Similarity 0.7339 NPC57751
Intermediate Similarity 0.7328 NPC25821
Intermediate Similarity 0.7328 NPC60982
Intermediate Similarity 0.7328 NPC49074
Intermediate Similarity 0.7327 NPC124576
Intermediate Similarity 0.7317 NPC148615
Intermediate Similarity 0.7317 NPC35071
Intermediate Similarity 0.7317 NPC177475
Intermediate Similarity 0.7308 NPC23837
Intermediate Similarity 0.7308 NPC125306
Intermediate Similarity 0.7308 NPC166168
Intermediate Similarity 0.7308 NPC9912
Intermediate Similarity 0.7302 NPC109822
Intermediate Similarity 0.7302 NPC94276
Intermediate Similarity 0.7297 NPC313918
Intermediate Similarity 0.7295 NPC474214
Intermediate Similarity 0.7295 NPC255675
Intermediate Similarity 0.7295 NPC101503
Intermediate Similarity 0.7295 NPC124916
Intermediate Similarity 0.7288 NPC245552
Intermediate Similarity 0.7287 NPC307110
Intermediate Similarity 0.7281 NPC38079
Intermediate Similarity 0.7281 NPC108875
Intermediate Similarity 0.728 NPC209567
Intermediate Similarity 0.7273 NPC187194
Intermediate Similarity 0.7266 NPC319625
Intermediate Similarity 0.7266 NPC292056
Intermediate Similarity 0.7266 NPC41706
Intermediate Similarity 0.7266 NPC147821
Intermediate Similarity 0.7266 NPC111247
Intermediate Similarity 0.7266 NPC163332
Intermediate Similarity 0.7266 NPC118787
Intermediate Similarity 0.7266 NPC474119
Intermediate Similarity 0.7266 NPC183181
Intermediate Similarity 0.7265 NPC36108
Intermediate Similarity 0.7265 NPC233731
Intermediate Similarity 0.7265 NPC127326
Intermediate Similarity 0.7265 NPC246358
Intermediate Similarity 0.7265 NPC7097
Intermediate Similarity 0.7257 NPC310905
Intermediate Similarity 0.7257 NPC12714
Intermediate Similarity 0.7252 NPC299144
Intermediate Similarity 0.7244 NPC194519
Intermediate Similarity 0.7236 NPC181969
Intermediate Similarity 0.7236 NPC320987
Intermediate Similarity 0.7236 NPC474320
Intermediate Similarity 0.7232 NPC307039
Intermediate Similarity 0.7218 NPC470236
Intermediate Similarity 0.7218 NPC55040
Intermediate Similarity 0.7217 NPC470393
Intermediate Similarity 0.7213 NPC164386
Intermediate Similarity 0.7203 NPC247871
Intermediate Similarity 0.72 NPC343720
Intermediate Similarity 0.72 NPC312675
Intermediate Similarity 0.72 NPC324571
Intermediate Similarity 0.72 NPC473853
Intermediate Similarity 0.72 NPC113865
Intermediate Similarity 0.72 NPC262156
Intermediate Similarity 0.72 NPC290451
Intermediate Similarity 0.72 NPC127389
Intermediate Similarity 0.72 NPC476343
Intermediate Similarity 0.72 NPC193484
Intermediate Similarity 0.72 NPC470212
Intermediate Similarity 0.72 NPC54872
Intermediate Similarity 0.72 NPC184651
Intermediate Similarity 0.7197 NPC69513
Intermediate Similarity 0.7197 NPC215833
Intermediate Similarity 0.7196 NPC157213
Intermediate Similarity 0.7188 NPC58607
Intermediate Similarity 0.7188 NPC191037
Intermediate Similarity 0.7188 NPC178284
Intermediate Similarity 0.7177 NPC202474
Intermediate Similarity 0.7177 NPC229401
Intermediate Similarity 0.7176 NPC248307
Intermediate Similarity 0.7176 NPC65942
Intermediate Similarity 0.7167 NPC301735
Intermediate Similarity 0.7167 NPC303522
Intermediate Similarity 0.7165 NPC287429
Intermediate Similarity 0.7164 NPC37468
Intermediate Similarity 0.7164 NPC25695
Intermediate Similarity 0.7164 NPC164857
Intermediate Similarity 0.7164 NPC172818
Intermediate Similarity 0.7164 NPC104167
Intermediate Similarity 0.7155 NPC473653
Intermediate Similarity 0.7154 NPC210623
Intermediate Similarity 0.7154 NPC273295
Intermediate Similarity 0.7154 NPC3439
Intermediate Similarity 0.7154 NPC190629
Intermediate Similarity 0.7154 NPC159916
Intermediate Similarity 0.7154 NPC226788
Intermediate Similarity 0.7154 NPC470258
Intermediate Similarity 0.7154 NPC86030
Intermediate Similarity 0.7154 NPC202582
Intermediate Similarity 0.7154 NPC5851
Intermediate Similarity 0.7154 NPC285339
Intermediate Similarity 0.7154 NPC218856
Intermediate Similarity 0.7154 NPC222004
Intermediate Similarity 0.7143 NPC13745
Intermediate Similarity 0.7143 NPC8547
Intermediate Similarity 0.7143 NPC476411
Intermediate Similarity 0.7143 NPC257124
Intermediate Similarity 0.7143 NPC195873
Intermediate Similarity 0.7143 NPC48863
Intermediate Similarity 0.7143 NPC87696
Intermediate Similarity 0.7143 NPC251981
Intermediate Similarity 0.7143 NPC476142
Intermediate Similarity 0.7143 NPC156840
Intermediate Similarity 0.7143 NPC173746
Intermediate Similarity 0.7131 NPC221049
Intermediate Similarity 0.713 NPC283546
Intermediate Similarity 0.713 NPC302546
Intermediate Similarity 0.713 NPC292792
Intermediate Similarity 0.7121 NPC252833
Intermediate Similarity 0.712 NPC183262
Intermediate Similarity 0.712 NPC207613
Intermediate Similarity 0.712 NPC267064
Intermediate Similarity 0.712 NPC204466
Intermediate Similarity 0.7111 NPC470413
Intermediate Similarity 0.7111 NPC138738
Intermediate Similarity 0.7109 NPC141739
Intermediate Similarity 0.7109 NPC12308
Intermediate Similarity 0.7109 NPC470510
Intermediate Similarity 0.7109 NPC27352
Intermediate Similarity 0.7109 NPC136112
Intermediate Similarity 0.7109 NPC320242
Intermediate Similarity 0.7107 NPC294941
Intermediate Similarity 0.7099 NPC472338
Intermediate Similarity 0.7094 NPC251306
Intermediate Similarity 0.7087 NPC21238
Intermediate Similarity 0.708 NPC100870
Intermediate Similarity 0.7077 NPC72529
Intermediate Similarity 0.7073 NPC76915
Intermediate Similarity 0.7073 NPC151617

Drug Structure

External Identifiers

TTD   DIB014373
DrugBank   DB00423
ChEMBL   CHEMBL1201117
IUPHAR/BPS   6829
PharmaGKB   PA164749506
KEGG Drug   D00402
PubChem CID   4107
ChEBI   77498
CAS Number  532-03-6

Drug Properties

Molecular Weight  241.10
ALogP  -0.2242
MLogP  2.01
XLogP  1.523
HDA  4
HBD  3
Rotatable Bonds  10
TPSA  92
RO5 Violation  0