Drug Information

Drug ID:  NPD2211
Drug Name:  Oxymetazoline
Molecular Formula:  C16H24N2O
Canonical SMILES:  Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C
Standard InCHI:  InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
Standard InCHIKey:  WYWIFABBXFUGLM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD2211

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 0.7365 NPC149379
Intermediate Similarity 0.7315 NPC267237
Intermediate Similarity 0.7124 NPC214988
Intermediate Similarity 0.7113 NPC85276
Intermediate Similarity 0.7097 NPC326241
Intermediate Similarity 0.7095 NPC268763
Intermediate Similarity 0.7095 NPC66177
Intermediate Similarity 0.7095 NPC8305
Intermediate Similarity 0.7083 NPC273830
Intermediate Similarity 0.7063 NPC283760
Intermediate Similarity 0.7047 NPC271808
Intermediate Similarity 0.7029 NPC474149
Intermediate Similarity 0.7013 NPC48202
Intermediate Similarity 0.7 NPC89769
Intermediate Similarity 0.7 NPC259665
Intermediate Similarity 0.7 NPC126859
Remote Similarity 0.6985 NPC231705
Remote Similarity 0.6978 NPC260323
Remote Similarity 0.6978 NPC176279
Remote Similarity 0.6957 NPC258056
Remote Similarity 0.6934 NPC151477
Remote Similarity 0.6933 NPC124802
Remote Similarity 0.6929 NPC250323
Remote Similarity 0.6923 NPC168861
Remote Similarity 0.6923 NPC137096
Remote Similarity 0.6908 NPC300020
Remote Similarity 0.6908 NPC33338
Remote Similarity 0.6908 NPC302171
Remote Similarity 0.6889 NPC68055
Remote Similarity 0.6867 NPC79328
Remote Similarity 0.6866 NPC211885
Remote Similarity 0.6861 NPC21594
Remote Similarity 0.6859 NPC170170
Remote Similarity 0.6859 NPC219233
Remote Similarity 0.6859 NPC211468
Remote Similarity 0.6831 NPC195922
Remote Similarity 0.6831 NPC142599
Remote Similarity 0.6815 NPC323123
Remote Similarity 0.6812 NPC142297
Remote Similarity 0.6788 NPC117115
Remote Similarity 0.6786 NPC141782
Remote Similarity 0.6786 NPC13482
Remote Similarity 0.6783 NPC317254
Remote Similarity 0.6783 NPC35797
Remote Similarity 0.6783 NPC192948
Remote Similarity 0.677 NPC476444
Remote Similarity 0.6768 NPC473580
Remote Similarity 0.6765 NPC178902
Remote Similarity 0.6741 NPC225506
Remote Similarity 0.6736 NPC477137
Remote Similarity 0.6736 NPC308311
Remote Similarity 0.6736 NPC38893
Remote Similarity 0.6736 NPC471668
Remote Similarity 0.6733 NPC318965
Remote Similarity 0.6726 NPC22014
Remote Similarity 0.6714 NPC58865
Remote Similarity 0.6713 NPC118202
Remote Similarity 0.6712 NPC268572
Remote Similarity 0.6711 NPC471321
Remote Similarity 0.6711 NPC471306
Remote Similarity 0.6707 NPC29647
Remote Similarity 0.6707 NPC469243
Remote Similarity 0.6707 NPC475544
Remote Similarity 0.6692 NPC144682
Remote Similarity 0.6691 NPC252105
Remote Similarity 0.669 NPC477136
Remote Similarity 0.669 NPC46940
Remote Similarity 0.669 NPC304510
Remote Similarity 0.669 NPC172219
Remote Similarity 0.669 NPC146422
Remote Similarity 0.6689 NPC322366
Remote Similarity 0.6689 NPC236347
Remote Similarity 0.6689 NPC323775
Remote Similarity 0.6667 NPC122005
Remote Similarity 0.6667 NPC252821
Remote Similarity 0.6667 NPC213
Remote Similarity 0.6667 NPC469719
Remote Similarity 0.6667 NPC33675
Remote Similarity 0.6667 NPC125732
Remote Similarity 0.6667 NPC299762
Remote Similarity 0.6667 NPC129486
Remote Similarity 0.6667 NPC209377
Remote Similarity 0.6667 NPC237227
Remote Similarity 0.6667 NPC10286
Remote Similarity 0.6647 NPC304074
Remote Similarity 0.6647 NPC290755
Remote Similarity 0.6647 NPC471771
Remote Similarity 0.6646 NPC476989
Remote Similarity 0.6644 NPC471671
Remote Similarity 0.6644 NPC154030
Remote Similarity 0.6643 NPC96224
Remote Similarity 0.6643 NPC263753
Remote Similarity 0.6643 NPC24101
Remote Similarity 0.6643 NPC715
Remote Similarity 0.6628 NPC276506
Remote Similarity 0.6628 NPC56887
Remote Similarity 0.6628 NPC198254
Remote Similarity 0.6628 NPC223077
Remote Similarity 0.6628 NPC274198
Remote Similarity 0.6628 NPC195392
Remote Similarity 0.6628 NPC193853
Remote Similarity 0.6621 NPC219112
Remote Similarity 0.6621 NPC469663
Remote Similarity 0.6621 NPC92
Remote Similarity 0.6621 NPC82963
Remote Similarity 0.662 NPC322753
Remote Similarity 0.662 NPC95716
Remote Similarity 0.662 NPC151537
Remote Similarity 0.6618 NPC155847
Remote Similarity 0.6618 NPC289381
Remote Similarity 0.6599 NPC126002
Remote Similarity 0.6599 NPC469644
Remote Similarity 0.6599 NPC93071
Remote Similarity 0.6597 NPC268160
Remote Similarity 0.6594 NPC238696
Remote Similarity 0.6594 NPC272029
Remote Similarity 0.6588 NPC223207
Remote Similarity 0.6587 NPC2295
Remote Similarity 0.6587 NPC477564
Remote Similarity 0.6582 NPC197045
Remote Similarity 0.6575 NPC38458
Remote Similarity 0.6575 NPC311737
Remote Similarity 0.6575 NPC283468
Remote Similarity 0.6573 NPC471179
Remote Similarity 0.6571 NPC196243
Remote Similarity 0.657 NPC280022
Remote Similarity 0.6567 NPC222146
Remote Similarity 0.6566 NPC52475
Remote Similarity 0.6557 NPC259350
Remote Similarity 0.6557 NPC223236
Remote Similarity 0.6552 NPC475532
Remote Similarity 0.6552 NPC147179
Remote Similarity 0.6549 NPC224870
Remote Similarity 0.6549 NPC132720
Remote Similarity 0.6547 NPC47284
Remote Similarity 0.6545 NPC60538
Remote Similarity 0.6545 NPC207824
Remote Similarity 0.6543 NPC119569
Remote Similarity 0.6541 NPC150712
Remote Similarity 0.6533 NPC297057
Remote Similarity 0.6532 NPC476573
Remote Similarity 0.6532 NPC81247
Remote Similarity 0.6532 NPC35627
Remote Similarity 0.6531 NPC122009
Remote Similarity 0.6527 NPC18614
Remote Similarity 0.6525 NPC153690
Remote Similarity 0.6525 NPC64586
Remote Similarity 0.6522 NPC476565
Remote Similarity 0.6522 NPC269212
Remote Similarity 0.6519 NPC313694
Remote Similarity 0.6519 NPC242159
Remote Similarity 0.6516 NPC326966
Remote Similarity 0.6514 NPC165285
Remote Similarity 0.6512 NPC124433
Remote Similarity 0.6512 NPC293871
Remote Similarity 0.651 NPC259703
Remote Similarity 0.651 NPC241001
Remote Similarity 0.651 NPC32322
Remote Similarity 0.6507 NPC308828
Remote Similarity 0.6503 NPC469912
Remote Similarity 0.65 NPC53740
Remote Similarity 0.65 NPC310456
Remote Similarity 0.6494 NPC325651
Remote Similarity 0.6493 NPC289769
Remote Similarity 0.6488 NPC326349
Remote Similarity 0.6488 NPC323336
Remote Similarity 0.6481 NPC473804
Remote Similarity 0.6479 NPC314187
Remote Similarity 0.6471 NPC79241
Remote Similarity 0.6471 NPC77492
Remote Similarity 0.6471 NPC195766
Remote Similarity 0.6471 NPC107619
Remote Similarity 0.6471 NPC6597
Remote Similarity 0.6471 NPC206736
Remote Similarity 0.6467 NPC277669
Remote Similarity 0.6467 NPC154696
Remote Similarity 0.6467 NPC249340
Remote Similarity 0.6467 NPC76213
Remote Similarity 0.6467 NPC162935
Remote Similarity 0.6463 NPC16030
Remote Similarity 0.6461 NPC283999
Remote Similarity 0.646 NPC323204
Remote Similarity 0.6458 NPC228425
Remote Similarity 0.6458 NPC302371
Remote Similarity 0.6446 NPC56685
Remote Similarity 0.6442 NPC16188
Remote Similarity 0.6442 NPC294249
Remote Similarity 0.6429 NPC99557
Remote Similarity 0.6429 NPC153990
Remote Similarity 0.6429 NPC114124
Remote Similarity 0.6429 NPC219286
Remote Similarity 0.6424 NPC121168
Remote Similarity 0.6424 NPC298486
Remote Similarity 0.6424 NPC176208
Remote Similarity 0.6424 NPC11250
Remote Similarity 0.642 NPC69712
Remote Similarity 0.642 NPC477562
Remote Similarity 0.642 NPC17698
Remote Similarity 0.642 NPC26240
Remote Similarity 0.6419 NPC469609

Drug Structure

External Identifiers

TTD   DAP000235
DrugBank   DB00935
ChEMBL   CHEMBL762
IUPHAR/BPS   124
PharmaGKB   PA164748840
KEGG Drug  
PubChem CID   4636
ChEBI   7862
CAS Number  1491-59-4

Drug Properties

Molecular Weight  260.19
ALogP  1.7371
MLogP  2.89
XLogP  3.553
HDA  2
HBD  2
Rotatable Bonds  9
TPSA  44.62
RO5 Violation  0