Drug Information

Drug ID:  NPD1269
Drug Name:  Naphazoline
Molecular Formula:  C14H14N2
Canonical SMILES:  C1CN=C(N1)Cc1cccc2c1cccc2
Standard InCHI:  InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)
Standard InCHIKey:  CNIIGCLFLJGOGP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1269

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 0.8969 NPC7067
Intermediate Similarity 0.7864 NPC469330
Intermediate Similarity 0.729 NPC108339
Intermediate Similarity 0.7196 NPC322040
Intermediate Similarity 0.7184 NPC258046
Intermediate Similarity 0.7157 NPC133162
Intermediate Similarity 0.7157 NPC169016
Intermediate Similarity 0.713 NPC329430
Intermediate Similarity 0.7041 NPC139658
Remote Similarity 0.6909 NPC471319
Remote Similarity 0.6909 NPC471320
Remote Similarity 0.6893 NPC119677
Remote Similarity 0.68 NPC273830
Remote Similarity 0.6783 NPC469974
Remote Similarity 0.6701 NPC229235
Remote Similarity 0.6636 NPC60408
Remote Similarity 0.66 NPC276699
Remote Similarity 0.6585 NPC288232
Remote Similarity 0.6571 NPC104070
Remote Similarity 0.6569 NPC12857
Remote Similarity 0.6555 NPC164802
Remote Similarity 0.6545 NPC470926
Remote Similarity 0.6531 NPC251490
Remote Similarity 0.65 NPC112609
Remote Similarity 0.65 NPC122327
Remote Similarity 0.65 NPC113000
Remote Similarity 0.6471 NPC290638
Remote Similarity 0.6466 NPC239854
Remote Similarity 0.6455 NPC316108
Remote Similarity 0.6429 NPC246822
Remote Similarity 0.6429 NPC213570
Remote Similarity 0.6429 NPC139416
Remote Similarity 0.64 NPC244738
Remote Similarity 0.64 NPC1901
Remote Similarity 0.6389 NPC203076
Remote Similarity 0.6356 NPC275467
Remote Similarity 0.6311 NPC325662
Remote Similarity 0.6311 NPC98269
Remote Similarity 0.63 NPC226999
Remote Similarity 0.63 NPC135433
Remote Similarity 0.63 NPC158028
Remote Similarity 0.63 NPC280135
Remote Similarity 0.63 NPC87099
Remote Similarity 0.63 NPC1008
Remote Similarity 0.63 NPC39799
Remote Similarity 0.63 NPC193578
Remote Similarity 0.6288 NPC477937
Remote Similarity 0.6279 NPC71684
Remote Similarity 0.6279 NPC475915
Remote Similarity 0.625 NPC473498
Remote Similarity 0.6226 NPC231986
Remote Similarity 0.622 NPC192209
Remote Similarity 0.62 NPC263385
Remote Similarity 0.62 NPC72670
Remote Similarity 0.62 NPC219246
Remote Similarity 0.6187 NPC132636
Remote Similarity 0.6186 NPC291066
Remote Similarity 0.6186 NPC329375
Remote Similarity 0.6182 NPC471638
Remote Similarity 0.6176 NPC258492
Remote Similarity 0.6176 NPC96835
Remote Similarity 0.6161 NPC191444
Remote Similarity 0.6161 NPC172128
Remote Similarity 0.616 NPC296163
Remote Similarity 0.6142 NPC313673
Remote Similarity 0.6121 NPC311242
Remote Similarity 0.6117 NPC307195
Remote Similarity 0.6117 NPC98976
Remote Similarity 0.6106 NPC226438
Remote Similarity 0.6102 NPC474582
Remote Similarity 0.6095 NPC255345
Remote Similarity 0.6082 NPC113670
Remote Similarity 0.6071 NPC176858
Remote Similarity 0.6069 NPC204141
Remote Similarity 0.6058 NPC271642
Remote Similarity 0.6053 NPC108800
Remote Similarity 0.6048 NPC319579
Remote Similarity 0.6033 NPC474695
Remote Similarity 0.6032 NPC187036
Remote Similarity 0.6032 NPC314141
Remote Similarity 0.6019 NPC299134
Remote Similarity 0.6016 NPC77294
Remote Similarity 0.6016 NPC302790
Remote Similarity 0.6014 NPC101165
Remote Similarity 0.5983 NPC472258
Remote Similarity 0.5982 NPC12429
Remote Similarity 0.5979 NPC71009
Remote Similarity 0.5965 NPC245259
Remote Similarity 0.5957 NPC325252
Remote Similarity 0.5948 NPC161972
Remote Similarity 0.5948 NPC303045
Remote Similarity 0.5943 NPC245896
Remote Similarity 0.5943 NPC66270
Remote Similarity 0.5941 NPC473206
Remote Similarity 0.5935 NPC434
Remote Similarity 0.5935 NPC79618
Remote Similarity 0.5929 NPC470877
Remote Similarity 0.5923 NPC264580
Remote Similarity 0.5923 NPC320656
Remote Similarity 0.5922 NPC54269
Remote Similarity 0.5905 NPC110264
Remote Similarity 0.59 NPC6107
Remote Similarity 0.59 NPC267443
Remote Similarity 0.5893 NPC473031
Remote Similarity 0.5891 NPC470544
Remote Similarity 0.5888 NPC159661
Remote Similarity 0.5887 NPC198988
Remote Similarity 0.5877 NPC159178
Remote Similarity 0.5877 NPC121872
Remote Similarity 0.5877 NPC471307
Remote Similarity 0.5877 NPC209764
Remote Similarity 0.5877 NPC74936
Remote Similarity 0.5877 NPC141139
Remote Similarity 0.5877 NPC78041
Remote Similarity 0.5876 NPC246588
Remote Similarity 0.5873 NPC275410
Remote Similarity 0.5857 NPC267237
Remote Similarity 0.5854 NPC327481
Remote Similarity 0.5854 NPC45033
Remote Similarity 0.5846 NPC470545
Remote Similarity 0.5845 NPC218268
Remote Similarity 0.5833 NPC50063
Remote Similarity 0.5833 NPC315216
Remote Similarity 0.5833 NPC469457
Remote Similarity 0.5833 NPC326232
Remote Similarity 0.5822 NPC314114
Remote Similarity 0.5821 NPC328683
Remote Similarity 0.5821 NPC283130
Remote Similarity 0.5818 NPC474088
Remote Similarity 0.5816 NPC66517
Remote Similarity 0.5804 NPC125746
Remote Similarity 0.5802 NPC470546
Remote Similarity 0.58 NPC113837
Remote Similarity 0.58 NPC289915
Remote Similarity 0.5797 NPC473762
Remote Similarity 0.5772 NPC473418
Remote Similarity 0.5769 NPC315276
Remote Similarity 0.5769 NPC285926
Remote Similarity 0.5769 NPC14672
Remote Similarity 0.5763 NPC25565
Remote Similarity 0.5758 NPC21211
Remote Similarity 0.5755 NPC473587
Remote Similarity 0.5738 NPC164859
Remote Similarity 0.5727 NPC14326
Remote Similarity 0.5726 NPC471309
Remote Similarity 0.5725 NPC313449
Remote Similarity 0.5725 NPC40488
Remote Similarity 0.5724 NPC88097
Remote Similarity 0.5714 NPC282398
Remote Similarity 0.5714 NPC473501
Remote Similarity 0.5714 NPC475428
Remote Similarity 0.5714 NPC238023
Remote Similarity 0.5714 NPC325479
Remote Similarity 0.5714 NPC475439
Remote Similarity 0.5714 NPC194857
Remote Similarity 0.5714 NPC33168
Remote Similarity 0.5714 NPC32858
Remote Similarity 0.5714 NPC310758
Remote Similarity 0.5714 NPC150196
Remote Similarity 0.5714 NPC22079
Remote Similarity 0.5705 NPC143872
Remote Similarity 0.5701 NPC249018
Remote Similarity 0.5701 NPC3190
Remote Similarity 0.57 NPC32312
Remote Similarity 0.57 NPC155172
Remote Similarity 0.5695 NPC206592
Remote Similarity 0.5694 NPC214988
Remote Similarity 0.5692 NPC101139
Remote Similarity 0.5688 NPC192623
Remote Similarity 0.5685 NPC115611
Remote Similarity 0.5683 NPC9856
Remote Similarity 0.5678 NPC58674
Remote Similarity 0.5674 NPC179365
Remote Similarity 0.5674 NPC475450
Remote Similarity 0.567 NPC36357
Remote Similarity 0.567 NPC114327
Remote Similarity 0.5657 NPC22786
Remote Similarity 0.5656 NPC327226
Remote Similarity 0.5652 NPC250361
Remote Similarity 0.5652 NPC145754
Remote Similarity 0.5645 NPC143516
Remote Similarity 0.5645 NPC474559
Remote Similarity 0.5641 NPC470204
Remote Similarity 0.5639 NPC143603
Remote Similarity 0.5639 NPC91958
Remote Similarity 0.5634 NPC473930
Remote Similarity 0.5631 NPC200936
Remote Similarity 0.563 NPC317400
Remote Similarity 0.5625 NPC96102
Remote Similarity 0.5625 NPC329011
Remote Similarity 0.562 NPC52764
Remote Similarity 0.5616 NPC312092
Remote Similarity 0.5616 NPC168861
Remote Similarity 0.5616 NPC2823
Remote Similarity 0.5615 NPC470550
Remote Similarity 0.5614 NPC17497
Remote Similarity 0.5614 NPC305602
Remote Similarity 0.5612 NPC111428
Remote Similarity 0.5612 NPC147062
Remote Similarity 0.5612 NPC313722

Drug Structure

External Identifiers

TTD   DAP001408
DrugBank   DB06711
ChEMBL   CHEMBL761
IUPHAR/BPS   5509
PharmaGKB   PA165958384
KEGG Drug   D08253
PubChem CID   4436
ChEBI   93363
CAS Number  835-31-4

Drug Properties

Molecular Weight  210.12
ALogP  -0.6428
MLogP  2.78
XLogP  5.006
HDA  2
HBD  1
Rotatable Bonds  2
TPSA  24.39
RO5 Violation  1