Drug Information

Drug ID:  NPD1800
Drug Name:  
Molecular Formula:  C15H24FNSi
Canonical SMILES:  Fc1ccc(cc1)C[Si](CN1CCCCC1)(C)C
Standard InCHI:  InChI=1S/C15H24FNSi/c1-18(2,13-17-10-4-3-5-11-17)12-14-6-8-15(16)9-7-14/h6-9H,3-5,10-13H2,1-2H3
Standard InCHIKey:  LOCRKLISCBHQPO-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1800

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 0.7927 NPC271642
Intermediate Similarity 0.7907 NPC104070
Intermediate Similarity 0.7805 NPC98976
Intermediate Similarity 0.7674 NPC231986
Intermediate Similarity 0.7556 NPC305602
Intermediate Similarity 0.7556 NPC17497
Intermediate Similarity 0.75 NPC139658
Intermediate Similarity 0.7419 NPC470926
Intermediate Similarity 0.7326 NPC12857
Intermediate Similarity 0.7253 NPC258046
Intermediate Similarity 0.7222 NPC169016
Intermediate Similarity 0.7143 NPC244738
Intermediate Similarity 0.7111 NPC474088
Intermediate Similarity 0.7108 NPC229235
Intermediate Similarity 0.7059 NPC112609
Intermediate Similarity 0.7059 NPC122327
Intermediate Similarity 0.7059 NPC113000
Remote Similarity 0.6977 NPC276699
Remote Similarity 0.6907 NPC322040
Remote Similarity 0.6905 NPC219246
Remote Similarity 0.6883 NPC269586
Remote Similarity 0.686 NPC299134
Remote Similarity 0.6848 NPC133162
Remote Similarity 0.6837 NPC329430
Remote Similarity 0.6818 NPC290638
Remote Similarity 0.6818 NPC98269
Remote Similarity 0.6818 NPC325662
Remote Similarity 0.6804 NPC473661
Remote Similarity 0.6795 NPC300345
Remote Similarity 0.6795 NPC120441
Remote Similarity 0.6795 NPC212114
Remote Similarity 0.6795 NPC65873
Remote Similarity 0.6778 NPC475289
Remote Similarity 0.6778 NPC475573
Remote Similarity 0.6765 NPC239854
Remote Similarity 0.6765 NPC291610
Remote Similarity 0.6753 NPC277704
Remote Similarity 0.6753 NPC149436
Remote Similarity 0.675 NPC210849
Remote Similarity 0.6709 NPC36357
Remote Similarity 0.6709 NPC8235
Remote Similarity 0.6709 NPC114327
Remote Similarity 0.6667 NPC198841
Remote Similarity 0.6667 NPC22786
Remote Similarity 0.6625 NPC147062
Remote Similarity 0.6625 NPC169110
Remote Similarity 0.6585 NPC50266
Remote Similarity 0.6571 NPC167336
Remote Similarity 0.6571 NPC473418
Remote Similarity 0.6566 NPC471309
Remote Similarity 0.6566 NPC474974
Remote Similarity 0.6559 NPC119677
Remote Similarity 0.6543 NPC246588
Remote Similarity 0.6543 NPC310758
Remote Similarity 0.6543 NPC54368
Remote Similarity 0.6543 NPC248705
Remote Similarity 0.6543 NPC238023
Remote Similarity 0.6543 NPC135924
Remote Similarity 0.6543 NPC150196
Remote Similarity 0.6535 NPC472258
Remote Similarity 0.6526 NPC203076
Remote Similarity 0.6506 NPC155172
Remote Similarity 0.6506 NPC198023
Remote Similarity 0.6506 NPC32312
Remote Similarity 0.6505 NPC474582
Remote Similarity 0.65 NPC64270
Remote Similarity 0.65 NPC256452
Remote Similarity 0.6463 NPC29680
Remote Similarity 0.6463 NPC200745
Remote Similarity 0.6463 NPC71009
Remote Similarity 0.6458 NPC60408
Remote Similarity 0.6458 NPC473031
Remote Similarity 0.6452 NPC14326
Remote Similarity 0.6429 NPC178527
Remote Similarity 0.64 NPC469330
Remote Similarity 0.6395 NPC200936
Remote Similarity 0.6392 NPC12429
Remote Similarity 0.6386 NPC88566
Remote Similarity 0.6386 NPC45756
Remote Similarity 0.6386 NPC113670
Remote Similarity 0.6353 NPC267443
Remote Similarity 0.6337 NPC108339
Remote Similarity 0.633 NPC158854
Remote Similarity 0.633 NPC292758
Remote Similarity 0.633 NPC65855
Remote Similarity 0.6327 NPC470877
Remote Similarity 0.6311 NPC322598
Remote Similarity 0.631 NPC291066
Remote Similarity 0.6289 NPC53492
Remote Similarity 0.6289 NPC471638
Remote Similarity 0.6275 NPC471320
Remote Similarity 0.6275 NPC471319
Remote Similarity 0.6265 NPC66517
Remote Similarity 0.6263 NPC74936
Remote Similarity 0.6263 NPC159178
Remote Similarity 0.6263 NPC209764
Remote Similarity 0.6263 NPC471307
Remote Similarity 0.6263 NPC121872
Remote Similarity 0.6263 NPC141139
Remote Similarity 0.6263 NPC78041
Remote Similarity 0.6262 NPC474695
Remote Similarity 0.625 NPC3210
Remote Similarity 0.625 NPC125144
Remote Similarity 0.625 NPC121708
Remote Similarity 0.6238 NPC71140
Remote Similarity 0.6238 NPC7067
Remote Similarity 0.6235 NPC36440
Remote Similarity 0.6207 NPC213570
Remote Similarity 0.6207 NPC246822
Remote Similarity 0.6207 NPC139416
Remote Similarity 0.6204 NPC45033
Remote Similarity 0.62 NPC245259
Remote Similarity 0.619 NPC21211
Remote Similarity 0.619 NPC214200
Remote Similarity 0.619 NPC228400
Remote Similarity 0.618 NPC54269
Remote Similarity 0.6176 NPC303045
Remote Similarity 0.6176 NPC161972
Remote Similarity 0.6163 NPC52330
Remote Similarity 0.6163 NPC6107
Remote Similarity 0.6154 NPC110264
Remote Similarity 0.6145 NPC45255
Remote Similarity 0.61 NPC172128
Remote Similarity 0.6092 NPC311343
Remote Similarity 0.6091 NPC77294
Remote Similarity 0.6067 NPC39799
Remote Similarity 0.6067 NPC1008
Remote Similarity 0.6067 NPC135433
Remote Similarity 0.6067 NPC226999
Remote Similarity 0.6067 NPC158028
Remote Similarity 0.6067 NPC280135
Remote Similarity 0.6067 NPC87099
Remote Similarity 0.6067 NPC193578
Remote Similarity 0.6047 NPC289915
Remote Similarity 0.6047 NPC113837
Remote Similarity 0.604 NPC226438
Remote Similarity 0.6038 NPC155847
Remote Similarity 0.6038 NPC289381
Remote Similarity 0.6036 NPC24777
Remote Similarity 0.6024 NPC147578
Remote Similarity 0.6023 NPC473206
Remote Similarity 0.6023 NPC98880
Remote Similarity 0.6023 NPC5324
Remote Similarity 0.6019 NPC58674
Remote Similarity 0.6019 NPC275467
Remote Similarity 0.5981 NPC329375
Remote Similarity 0.5963 NPC143516
Remote Similarity 0.5962 NPC25565
Remote Similarity 0.5955 NPC263385
Remote Similarity 0.5955 NPC72670
Remote Similarity 0.5955 NPC251490
Remote Similarity 0.5955 NPC95289
Remote Similarity 0.5952 NPC200624
Remote Similarity 0.5941 NPC316108
Remote Similarity 0.5914 NPC3190
Remote Similarity 0.5914 NPC249018
Remote Similarity 0.5909 NPC474804
Remote Similarity 0.5909 NPC474973
Remote Similarity 0.5909 NPC82770
Remote Similarity 0.5909 NPC239931
Remote Similarity 0.5909 NPC471447
Remote Similarity 0.5909 NPC22760
Remote Similarity 0.5909 NPC78954
Remote Similarity 0.5909 NPC130898
Remote Similarity 0.5905 NPC475439
Remote Similarity 0.5905 NPC311242
Remote Similarity 0.5905 NPC473501
Remote Similarity 0.5889 NPC74458
Remote Similarity 0.5889 NPC326200
Remote Similarity 0.5888 NPC316797
Remote Similarity 0.5872 NPC469974
Remote Similarity 0.587 NPC307195
Remote Similarity 0.5847 NPC264580
Remote Similarity 0.5843 NPC16190
Remote Similarity 0.5843 NPC169222
Remote Similarity 0.5843 NPC235059
Remote Similarity 0.5843 NPC297358
Remote Similarity 0.5833 NPC327226
Remote Similarity 0.5824 NPC1901
Remote Similarity 0.5824 NPC285679
Remote Similarity 0.5824 NPC212463
Remote Similarity 0.5818 NPC476198
Remote Similarity 0.581 NPC317400
Remote Similarity 0.5804 NPC473676
Remote Similarity 0.5804 NPC164802
Remote Similarity 0.58 NPC198747
Remote Similarity 0.5789 NPC159661
Remote Similarity 0.5784 NPC78154
Remote Similarity 0.5776 NPC246904
Remote Similarity 0.5776 NPC33742
Remote Similarity 0.5769 NPC246757
Remote Similarity 0.5769 NPC291070
Remote Similarity 0.5761 NPC96835
Remote Similarity 0.5761 NPC258492
Remote Similarity 0.5755 NPC33168
Remote Similarity 0.575 NPC27833
Remote Similarity 0.5747 NPC264470
Remote Similarity 0.5745 NPC329318
Remote Similarity 0.5745 NPC9796
Remote Similarity 0.5745 NPC179726

Drug Structure

External Identifiers

TTD   DIB007666
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   178567
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  265.17
ALogP  2.4488
MLogP  2.78
XLogP  4.575
HDA  1
HBD  0
Rotatable Bonds  7
TPSA  3.24
RO5 Violation  0