Drug Information

Drug ID:  NPD416
Drug Name:  Rufinamide
Molecular Formula:  C10H8F2N4O
Canonical SMILES:  Fc1cccc(c1Cn1nnc(c1)C(=N)O)F
Standard InCHI:  InChI=1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)
Standard InCHIKey:  POGQSBRIGCQNEG-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD416

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
Intermediate Similarity 0.7244 NPC159856
Intermediate Similarity 0.7151 NPC48938
Intermediate Similarity 0.7134 NPC314372
Intermediate Similarity 0.7133 NPC256893
Intermediate Similarity 0.7115 NPC190296
Intermediate Similarity 0.7073 NPC131718
Intermediate Similarity 0.7063 NPC105818
Intermediate Similarity 0.7063 NPC24678
Remote Similarity 0.6981 NPC63545
Remote Similarity 0.6937 NPC201380
Remote Similarity 0.6937 NPC469811
Remote Similarity 0.6937 NPC470111
Remote Similarity 0.6937 NPC179787
Remote Similarity 0.6894 NPC282531
Remote Similarity 0.6894 NPC321911
Remote Similarity 0.6886 NPC102423
Remote Similarity 0.6871 NPC469765
Remote Similarity 0.6871 NPC73952
Remote Similarity 0.6871 NPC469786
Remote Similarity 0.6871 NPC25008
Remote Similarity 0.6871 NPC259644
Remote Similarity 0.6871 NPC469763
Remote Similarity 0.6871 NPC469760
Remote Similarity 0.6839 NPC96102
Remote Similarity 0.6832 NPC471957
Remote Similarity 0.6829 NPC211572
Remote Similarity 0.6829 NPC75540
Remote Similarity 0.6829 NPC212376
Remote Similarity 0.6829 NPC80597
Remote Similarity 0.6829 NPC70922
Remote Similarity 0.6826 NPC478185
Remote Similarity 0.6826 NPC225018
Remote Similarity 0.6807 NPC92796
Remote Similarity 0.6807 NPC135141
Remote Similarity 0.6805 NPC49217
Remote Similarity 0.6802 NPC471579
Remote Similarity 0.6797 NPC82295
Remote Similarity 0.6795 NPC105127
Remote Similarity 0.6795 NPC84911
Remote Similarity 0.6788 NPC469785
Remote Similarity 0.6786 NPC476118
Remote Similarity 0.6786 NPC478184
Remote Similarity 0.6784 NPC470498
Remote Similarity 0.6779 NPC27740
Remote Similarity 0.6768 NPC325903
Remote Similarity 0.6766 NPC279918
Remote Similarity 0.6755 NPC306397
Remote Similarity 0.6747 NPC236711
Remote Similarity 0.6747 NPC469762
Remote Similarity 0.6747 NPC212742
Remote Similarity 0.6743 NPC24864
Remote Similarity 0.6731 NPC261195
Remote Similarity 0.6731 NPC29886
Remote Similarity 0.6726 NPC282231
Remote Similarity 0.6723 NPC284678
Remote Similarity 0.6709 NPC110126
Remote Similarity 0.6709 NPC73767
Remote Similarity 0.6707 NPC216713
Remote Similarity 0.6707 NPC293487
Remote Similarity 0.6706 NPC160105
Remote Similarity 0.6689 NPC48564
Remote Similarity 0.6689 NPC265605
Remote Similarity 0.6689 NPC182570
Remote Similarity 0.6688 NPC324611
Remote Similarity 0.6667 NPC469761
Remote Similarity 0.6667 NPC469780
Remote Similarity 0.6667 NPC279081
Remote Similarity 0.6667 NPC469779
Remote Similarity 0.6667 NPC122141
Remote Similarity 0.6667 NPC469767
Remote Similarity 0.6667 NPC470204
Remote Similarity 0.6667 NPC469768
Remote Similarity 0.6667 NPC469784
Remote Similarity 0.6667 NPC469783
Remote Similarity 0.6647 NPC314603
Remote Similarity 0.6647 NPC313791
Remote Similarity 0.6645 NPC212125
Remote Similarity 0.6627 NPC470203
Remote Similarity 0.6625 NPC469766
Remote Similarity 0.6609 NPC469938
Remote Similarity 0.6608 NPC49954
Remote Similarity 0.6608 NPC54988
Remote Similarity 0.6608 NPC474561
Remote Similarity 0.6607 NPC230869
Remote Similarity 0.6606 NPC470233
Remote Similarity 0.66 NPC46358
Remote Similarity 0.6588 NPC311276
Remote Similarity 0.6588 NPC162268
Remote Similarity 0.6588 NPC478182
Remote Similarity 0.6585 NPC288445
Remote Similarity 0.6582 NPC150259
Remote Similarity 0.6579 NPC476950
Remote Similarity 0.657 NPC63751
Remote Similarity 0.6564 NPC143872
Remote Similarity 0.6562 NPC230002
Remote Similarity 0.6559 NPC192315
Remote Similarity 0.6557 NPC324149
Remote Similarity 0.6548 NPC129721
Remote Similarity 0.6536 NPC471313
Remote Similarity 0.6536 NPC471311
Remote Similarity 0.6532 NPC194411
Remote Similarity 0.6524 NPC476167
Remote Similarity 0.6519 NPC29702
Remote Similarity 0.6519 NPC328029
Remote Similarity 0.6516 NPC282398
Remote Similarity 0.6514 NPC317054
Remote Similarity 0.6512 NPC56233
Remote Similarity 0.6512 NPC478183
Remote Similarity 0.6503 NPC285731
Remote Similarity 0.6497 NPC215795
Remote Similarity 0.6497 NPC176199
Remote Similarity 0.6497 NPC11126
Remote Similarity 0.6491 NPC317105
Remote Similarity 0.6491 NPC40779
Remote Similarity 0.6491 NPC194640
Remote Similarity 0.6488 NPC141353
Remote Similarity 0.6486 NPC91958
Remote Similarity 0.6485 NPC37548
Remote Similarity 0.6471 NPC212213
Remote Similarity 0.6471 NPC265576
Remote Similarity 0.6467 NPC200214
Remote Similarity 0.6464 NPC62749
Remote Similarity 0.6463 NPC288838
Remote Similarity 0.6453 NPC274229
Remote Similarity 0.6441 NPC68354
Remote Similarity 0.6441 NPC96890
Remote Similarity 0.6441 NPC59269
Remote Similarity 0.644 NPC470505
Remote Similarity 0.644 NPC470500
Remote Similarity 0.6437 NPC91895
Remote Similarity 0.6437 NPC32534
Remote Similarity 0.6429 NPC165370
Remote Similarity 0.6429 NPC477815
Remote Similarity 0.642 NPC275305
Remote Similarity 0.642 NPC149155
Remote Similarity 0.642 NPC203468
Remote Similarity 0.642 NPC110500
Remote Similarity 0.642 NPC37423
Remote Similarity 0.6412 NPC477591
Remote Similarity 0.6409 NPC15102
Remote Similarity 0.6405 NPC146373
Remote Similarity 0.6405 NPC245244
Remote Similarity 0.6405 NPC166424
Remote Similarity 0.6389 NPC220765
Remote Similarity 0.6389 NPC27802
Remote Similarity 0.6387 NPC89490
Remote Similarity 0.6386 NPC187951
Remote Similarity 0.6384 NPC267885
Remote Similarity 0.6382 NPC290094
Remote Similarity 0.6379 NPC78020
Remote Similarity 0.6379 NPC201700
Remote Similarity 0.6376 NPC143603
Remote Similarity 0.6375 NPC65408
Remote Similarity 0.6374 NPC94752
Remote Similarity 0.6374 NPC25899
Remote Similarity 0.6369 NPC471322
Remote Similarity 0.6358 NPC115611
Remote Similarity 0.6354 NPC228835
Remote Similarity 0.6354 NPC204717
Remote Similarity 0.6352 NPC198988
Remote Similarity 0.6348 NPC248454
Remote Similarity 0.6348 NPC184964
Remote Similarity 0.6347 NPC53947
Remote Similarity 0.6347 NPC40070
Remote Similarity 0.6346 NPC475090
Remote Similarity 0.6346 NPC329896
Remote Similarity 0.6346 NPC475105
Remote Similarity 0.6343 NPC97343
Remote Similarity 0.6341 NPC242556
Remote Similarity 0.6339 NPC46580
Remote Similarity 0.6337 NPC48192
Remote Similarity 0.6335 NPC104049
Remote Similarity 0.6333 NPC191415
Remote Similarity 0.6331 NPC38736
Remote Similarity 0.6331 NPC470507
Remote Similarity 0.6329 NPC184437
Remote Similarity 0.6319 NPC314002
Remote Similarity 0.6313 NPC126709
Remote Similarity 0.6313 NPC248041
Remote Similarity 0.6313 NPC42979
Remote Similarity 0.6313 NPC283219
Remote Similarity 0.6313 NPC12649
Remote Similarity 0.6312 NPC218268
Remote Similarity 0.6312 NPC325252
Remote Similarity 0.631 NPC470823
Remote Similarity 0.631 NPC469975
Remote Similarity 0.6309 NPC297486
Remote Similarity 0.6309 NPC240136
Remote Similarity 0.6309 NPC471402
Remote Similarity 0.6307 NPC82331
Remote Similarity 0.6304 NPC213629
Remote Similarity 0.6303 NPC470440
Remote Similarity 0.6298 NPC102755
Remote Similarity 0.6296 NPC239954
Remote Similarity 0.6296 NPC474916
Remote Similarity 0.6292 NPC224764
Remote Similarity 0.6292 NPC280852
Remote Similarity 0.6284 NPC171171
Remote Similarity 0.6276 NPC5145
Remote Similarity 0.6273 NPC125746

Drug Structure

External Identifiers

TTD   DAP001516; DNCL003521
DrugBank   DB06201
ChEMBL   CHEMBL1201754
IUPHAR/BPS   7470
PharmaGKB  
KEGG Drug   D05775
PubChem CID   129228
ChEBI   134966
CAS Number  106308-44-5

Drug Properties

Molecular Weight  238.07
ALogP  0.9026
MLogP  1.79
XLogP  1.955
HDA  5
HBD  2
Rotatable Bonds  6
TPSA  74.79
RO5 Violation  0