Drug Information

Drug ID:  NPD4831
Drug Name:  Netilmicin
Molecular Formula:  C21H41N5O7
Canonical SMILES:  CCN[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1OC(=CC[C@H]1N)CN
Standard InCHI:  InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1
Standard InCHIKey:  CIDUJQMULVCIBT-MQDUPKMGSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4831

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 0.9811 NPC241597
Intermediate Similarity 0.8165 NPC56298
Intermediate Similarity 0.8165 NPC471628
Intermediate Similarity 0.7869 NPC20035
Intermediate Similarity 0.7522 NPC315036
Intermediate Similarity 0.7395 NPC57436
Intermediate Similarity 0.7395 NPC121479
Intermediate Similarity 0.7315 NPC123746
Intermediate Similarity 0.7315 NPC314007
Intermediate Similarity 0.7315 NPC314408
Intermediate Similarity 0.7315 NPC43850
Intermediate Similarity 0.7315 NPC477060
Intermediate Similarity 0.7182 NPC176381
Intermediate Similarity 0.7182 NPC195969
Intermediate Similarity 0.717 NPC263058
Intermediate Similarity 0.7156 NPC214376
Intermediate Similarity 0.7131 NPC314306
Intermediate Similarity 0.7075 NPC315969
Intermediate Similarity 0.7064 NPC313552
Intermediate Similarity 0.7034 NPC221148
Intermediate Similarity 0.7018 NPC330590
Remote Similarity 0.6991 NPC315334
Remote Similarity 0.6769 NPC94319
Remote Similarity 0.675 NPC55336
Remote Similarity 0.6721 NPC319537
Remote Similarity 0.6721 NPC315426
Remote Similarity 0.6721 NPC313272
Remote Similarity 0.6695 NPC315170
Remote Similarity 0.646 NPC306838
Remote Similarity 0.6429 NPC297058
Remote Similarity 0.6422 NPC318258
Remote Similarity 0.6422 NPC70574
Remote Similarity 0.6371 NPC475918
Remote Similarity 0.633 NPC98750
Remote Similarity 0.6308 NPC313813
Remote Similarity 0.6306 NPC36927
Remote Similarity 0.6306 NPC271772
Remote Similarity 0.6296 NPC296686
Remote Similarity 0.6273 NPC83248
Remote Similarity 0.6273 NPC100204
Remote Similarity 0.6269 NPC471262
Remote Similarity 0.6261 NPC470282
Remote Similarity 0.625 NPC165119
Remote Similarity 0.6186 NPC61894
Remote Similarity 0.6186 NPC475603
Remote Similarity 0.6131 NPC471263
Remote Similarity 0.6129 NPC477198
Remote Similarity 0.6071 NPC471420
Remote Similarity 0.6043 NPC163783
Remote Similarity 0.6029 NPC469943
Remote Similarity 0.6028 NPC25455
Remote Similarity 0.6028 NPC15249
Remote Similarity 0.6014 NPC315058
Remote Similarity 0.6 NPC313962
Remote Similarity 0.5986 NPC122819
Remote Similarity 0.5985 NPC471255
Remote Similarity 0.5944 NPC150057
Remote Similarity 0.5944 NPC147753
Remote Similarity 0.5912 NPC478138
Remote Similarity 0.5903 NPC471256
Remote Similarity 0.5902 NPC470382
Remote Similarity 0.5902 NPC25033
Remote Similarity 0.5902 NPC119225
Remote Similarity 0.5902 NPC476261
Remote Similarity 0.5902 NPC471635
Remote Similarity 0.5893 NPC316807
Remote Similarity 0.5893 NPC150557
Remote Similarity 0.5833 NPC74672
Remote Similarity 0.5833 NPC242503
Remote Similarity 0.5833 NPC1111
Remote Similarity 0.5833 NPC139782
Remote Similarity 0.5833 NPC261750
Remote Similarity 0.5833 NPC209047
Remote Similarity 0.5833 NPC43074
Remote Similarity 0.5827 NPC68327
Remote Similarity 0.5827 NPC75839
Remote Similarity 0.582 NPC3568
Remote Similarity 0.582 NPC192066
Remote Similarity 0.582 NPC17290
Remote Similarity 0.582 NPC23454
Remote Similarity 0.582 NPC262312
Remote Similarity 0.582 NPC35269
Remote Similarity 0.582 NPC256570
Remote Similarity 0.582 NPC70323
Remote Similarity 0.5798 NPC470284
Remote Similarity 0.5797 NPC139857
Remote Similarity 0.5785 NPC263545
Remote Similarity 0.5785 NPC282705
Remote Similarity 0.5785 NPC186840
Remote Similarity 0.5785 NPC473950
Remote Similarity 0.5785 NPC475125
Remote Similarity 0.5785 NPC182632
Remote Similarity 0.5785 NPC473604
Remote Similarity 0.5785 NPC473581
Remote Similarity 0.5785 NPC15851
Remote Similarity 0.5785 NPC328646
Remote Similarity 0.5785 NPC111567
Remote Similarity 0.5785 NPC309898
Remote Similarity 0.5782 NPC287885
Remote Similarity 0.5755 NPC322801
Remote Similarity 0.5755 NPC129100
Remote Similarity 0.5755 NPC291650
Remote Similarity 0.5733 NPC304299
Remote Similarity 0.5733 NPC247776
Remote Similarity 0.5733 NPC475278
Remote Similarity 0.5733 NPC475266
Remote Similarity 0.5733 NPC309450
Remote Similarity 0.5726 NPC8098
Remote Similarity 0.5726 NPC45313
Remote Similarity 0.5726 NPC197294
Remote Similarity 0.5726 NPC183449
Remote Similarity 0.5714 NPC313333
Remote Similarity 0.5714 NPC271207
Remote Similarity 0.5714 NPC255175
Remote Similarity 0.5714 NPC313342
Remote Similarity 0.5714 NPC314451
Remote Similarity 0.5714 NPC314512
Remote Similarity 0.5714 NPC206711
Remote Similarity 0.5714 NPC225978
Remote Similarity 0.5714 NPC60432
Remote Similarity 0.5704 NPC30196
Remote Similarity 0.5696 NPC477398
Remote Similarity 0.5694 NPC139585
Remote Similarity 0.5694 NPC475472
Remote Similarity 0.5693 NPC67917
Remote Similarity 0.5693 NPC477515
Remote Similarity 0.5693 NPC314268
Remote Similarity 0.5693 NPC313802
Remote Similarity 0.5692 NPC317534
Remote Similarity 0.5691 NPC282088
Remote Similarity 0.5691 NPC158445
Remote Similarity 0.5691 NPC156782
Remote Similarity 0.5691 NPC157353
Remote Similarity 0.5691 NPC54961
Remote Similarity 0.569 NPC20072
Remote Similarity 0.5678 NPC73166
Remote Similarity 0.5664 NPC315387
Remote Similarity 0.5664 NPC316205
Remote Similarity 0.5662 NPC6531
Remote Similarity 0.5659 NPC477000
Remote Similarity 0.5659 NPC92874
Remote Similarity 0.5659 NPC322449
Remote Similarity 0.5659 NPC62845
Remote Similarity 0.5659 NPC166242
Remote Similarity 0.5659 NPC477001
Remote Similarity 0.5659 NPC189854
Remote Similarity 0.5655 NPC73829
Remote Similarity 0.5655 NPC119794
Remote Similarity 0.5652 NPC100697
Remote Similarity 0.5634 NPC314282
Remote Similarity 0.5629 NPC71866
Remote Similarity 0.5625 NPC3094
Remote Similarity 0.5625 NPC251884
Remote Similarity 0.5616 NPC76999
Remote Similarity 0.5615 NPC10897
Remote Similarity 0.5615 NPC325900
Remote Similarity 0.5603 NPC471087
Remote Similarity 0.5603 NPC477985
Remote Similarity 0.5603 NPC326386
Remote Similarity 0.56 NPC189629

Drug Structure

External Identifiers

TTD   DAP000404
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   441306
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  475.30
ALogP  -4.6052
MLogP  2.45
XLogP  -2.815
HDA  12
HBD  8
Rotatable Bonds  17
TPSA  199.73
RO5 Violation  2