Drug Information

Drug ID:  NPD2207
Drug Name:  Xylometazoline
Molecular Formula:  C16H24N2
Canonical SMILES:  Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C
Standard InCHI:  InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
Standard InCHIKey:  HUCJFAOMUPXHDK-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD2207

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 0.86 NPC7067
Intermediate Similarity 0.7714 NPC469330
Intermediate Similarity 0.7143 NPC60408
Intermediate Similarity 0.7091 NPC471320
Intermediate Similarity 0.7091 NPC471319
Remote Similarity 0.69 NPC139658
Remote Similarity 0.6857 NPC133162
Remote Similarity 0.68 NPC276699
Remote Similarity 0.6757 NPC322040
Remote Similarity 0.6729 NPC258046
Remote Similarity 0.6696 NPC329430
Remote Similarity 0.6696 NPC108339
Remote Similarity 0.6667 NPC290638
Remote Similarity 0.6542 NPC169016
Remote Similarity 0.6525 NPC469974
Remote Similarity 0.6442 NPC12857
Remote Similarity 0.6434 NPC273830
Remote Similarity 0.6415 NPC231986
Remote Similarity 0.641 NPC474582
Remote Similarity 0.64 NPC229235
Remote Similarity 0.6373 NPC122327
Remote Similarity 0.6373 NPC113000
Remote Similarity 0.6373 NPC112609
Remote Similarity 0.6333 NPC474695
Remote Similarity 0.6296 NPC104070
Remote Similarity 0.6296 NPC119677
Remote Similarity 0.6283 NPC470926
Remote Similarity 0.625 NPC275467
Remote Similarity 0.622 NPC288232
Remote Similarity 0.6218 NPC239854
Remote Similarity 0.6202 NPC264580
Remote Similarity 0.6195 NPC316108
Remote Similarity 0.619 NPC325662
Remote Similarity 0.619 NPC249018
Remote Similarity 0.619 NPC3190
Remote Similarity 0.619 NPC98269
Remote Similarity 0.6179 NPC164802
Remote Similarity 0.6162 NPC113837
Remote Similarity 0.6162 NPC289915
Remote Similarity 0.6161 NPC12429
Remote Similarity 0.6117 NPC244738
Remote Similarity 0.6117 NPC54269
Remote Similarity 0.6106 NPC470877
Remote Similarity 0.6103 NPC40488
Remote Similarity 0.61 NPC6107
Remote Similarity 0.6095 NPC271642
Remote Similarity 0.6095 NPC110264
Remote Similarity 0.6075 NPC159661
Remote Similarity 0.6074 NPC477937
Remote Similarity 0.6071 NPC471638
Remote Similarity 0.6071 NPC473031
Remote Similarity 0.6061 NPC71684
Remote Similarity 0.6053 NPC209764
Remote Similarity 0.6053 NPC471307
Remote Similarity 0.6053 NPC121872
Remote Similarity 0.6053 NPC78041
Remote Similarity 0.6053 NPC74936
Remote Similarity 0.6053 NPC159178
Remote Similarity 0.6053 NPC141139
Remote Similarity 0.6048 NPC77294
Remote Similarity 0.6047 NPC313673
Remote Similarity 0.6016 NPC473498
Remote Similarity 0.6 NPC178527
Remote Similarity 0.6 NPC192209
Remote Similarity 0.6 NPC245259
Remote Similarity 0.6 NPC98976
Remote Similarity 0.5986 NPC132636
Remote Similarity 0.5982 NPC203076
Remote Similarity 0.595 NPC329375
Remote Similarity 0.594 NPC475915
Remote Similarity 0.5932 NPC25565
Remote Similarity 0.5922 NPC219246
Remote Similarity 0.5909 NPC14326
Remote Similarity 0.5897 NPC471309
Remote Similarity 0.5887 NPC327481
Remote Similarity 0.5882 NPC473501
Remote Similarity 0.5882 NPC475439
Remote Similarity 0.5865 NPC280135
Remote Similarity 0.5865 NPC193578
Remote Similarity 0.5865 NPC1008
Remote Similarity 0.5865 NPC87099
Remote Similarity 0.5865 NPC226999
Remote Similarity 0.5865 NPC158028
Remote Similarity 0.5865 NPC39799
Remote Similarity 0.5865 NPC135433
Remote Similarity 0.5847 NPC58674
Remote Similarity 0.5847 NPC303045
Remote Similarity 0.5847 NPC161972
Remote Similarity 0.5828 NPC206592
Remote Similarity 0.5814 NPC314141
Remote Similarity 0.5814 NPC296163
Remote Similarity 0.5806 NPC143516
Remote Similarity 0.5804 NPC478140
Remote Similarity 0.58 NPC45756
Remote Similarity 0.5797 NPC478079
Remote Similarity 0.5786 NPC126458
Remote Similarity 0.5778 NPC109151
Remote Similarity 0.5776 NPC172128
Remote Similarity 0.5772 NPC474430
Remote Similarity 0.5769 NPC246904
Remote Similarity 0.576 NPC130898
Remote Similarity 0.576 NPC471447
Remote Similarity 0.576 NPC474973
Remote Similarity 0.576 NPC474804
Remote Similarity 0.5755 NPC299134
Remote Similarity 0.5752 NPC3210
Remote Similarity 0.575 NPC311242
Remote Similarity 0.575 NPC472258
Remote Similarity 0.5745 NPC325479
Remote Similarity 0.5743 NPC155172
Remote Similarity 0.5743 NPC198023
Remote Similarity 0.5743 NPC32312
Remote Similarity 0.5739 NPC30445
Remote Similarity 0.5738 NPC469457
Remote Similarity 0.5736 NPC474584
Remote Similarity 0.5735 NPC472415
Remote Similarity 0.5734 NPC314835
Remote Similarity 0.5727 NPC315216
Remote Similarity 0.5726 NPC226438
Remote Similarity 0.5725 NPC473573
Remote Similarity 0.5725 NPC119326
Remote Similarity 0.5714 NPC320656
Remote Similarity 0.5714 NPC474088
Remote Similarity 0.5703 NPC319579
Remote Similarity 0.5701 NPC307195
Remote Similarity 0.57 NPC29680
Remote Similarity 0.5692 NPC187036
Remote Similarity 0.5685 NPC243162
Remote Similarity 0.5683 NPC145754
Remote Similarity 0.5682 NPC470544
Remote Similarity 0.568 NPC474559
Remote Similarity 0.5676 NPC242628
Remote Similarity 0.5673 NPC139416
Remote Similarity 0.5673 NPC246822
Remote Similarity 0.5673 NPC213570
Remote Similarity 0.5667 NPC204141
Remote Similarity 0.5667 NPC317400
Remote Similarity 0.5664 NPC141050
Remote Similarity 0.5652 NPC101719
Remote Similarity 0.5652 NPC472414
Remote Similarity 0.5644 NPC88566
Remote Similarity 0.5639 NPC470545
Remote Similarity 0.5638 NPC472103
Remote Similarity 0.5638 NPC314114
Remote Similarity 0.5635 NPC45033
Remote Similarity 0.5634 NPC194857
Remote Similarity 0.5634 NPC32858
Remote Similarity 0.563 NPC476990
Remote Similarity 0.563 NPC200964
Remote Similarity 0.5621 NPC33421
Remote Similarity 0.5619 NPC251490
Remote Similarity 0.5614 NPC24733
Remote Similarity 0.5612 NPC252794
Remote Similarity 0.5607 NPC96835
Remote Similarity 0.5607 NPC258492
Remote Similarity 0.5606 NPC101139
Remote Similarity 0.56 NPC310758
Remote Similarity 0.56 NPC54368
Remote Similarity 0.56 NPC113326
Remote Similarity 0.56 NPC88267
Remote Similarity 0.56 NPC238023
Remote Similarity 0.56 NPC248705
Remote Similarity 0.56 NPC194390
Remote Similarity 0.56 NPC224610
Remote Similarity 0.56 NPC150196
Remote Similarity 0.56 NPC210849

Drug Structure

External Identifiers

TTD   DIB013376
DrugBank   DB06694
ChEMBL   CHEMBL312448
IUPHAR/BPS   517
PharmaGKB   PA165958368
KEGG Drug  
PubChem CID   5709
ChEBI   10082
CAS Number  526-36-3

Drug Properties

Molecular Weight  244.19
ALogP  2.1974
MLogP  3
XLogP  5.782
HDA  2
HBD  1
Rotatable Bonds  8
TPSA  24.39
RO5 Violation  1