Drug Information

Drug ID:  NPD1721
Drug Name:  
Molecular Formula:  C15H20N2
Canonical SMILES:  CN1CC[C@H]2[C@@H](C1)c1cccc3c1N(C2)CC3
Standard InCHI:  InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1
Standard InCHIKey:  YASBOGFWAMXINH-TZMCWYRMSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1721

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 0.8362 NPC475915
Intermediate Similarity 0.8131 NPC291610
Intermediate Similarity 0.8087 NPC313673
Intermediate Similarity 0.7797 NPC264580
Intermediate Similarity 0.7597 NPC471123
Intermediate Similarity 0.7581 NPC252794
Intermediate Similarity 0.7563 NPC192209
Intermediate Similarity 0.7521 NPC187036
Intermediate Similarity 0.7453 NPC470926
Intermediate Similarity 0.7391 NPC302790
Intermediate Similarity 0.7353 NPC104070
Intermediate Similarity 0.7321 NPC239854
Intermediate Similarity 0.7273 NPC313449
Intermediate Similarity 0.725 NPC288232
Intermediate Similarity 0.7244 NPC478079
Intermediate Similarity 0.7244 NPC145754
Intermediate Similarity 0.7241 NPC164802
Intermediate Similarity 0.7227 NPC296163
Intermediate Similarity 0.7226 NPC469735
Intermediate Similarity 0.7218 NPC469560
Intermediate Similarity 0.7164 NPC130251
Intermediate Similarity 0.7143 NPC206592
Intermediate Similarity 0.7122 NPC21605
Intermediate Similarity 0.7111 NPC88097
Intermediate Similarity 0.7097 NPC316582
Intermediate Similarity 0.708 NPC20144
Intermediate Similarity 0.7073 NPC228515
Intermediate Similarity 0.7009 NPC79618
Intermediate Similarity 0.7009 NPC111233
Intermediate Similarity 0.7 NPC271642
Remote Similarity 0.6992 NPC476566
Remote Similarity 0.699 NPC231986
Remote Similarity 0.6985 NPC186284
Remote Similarity 0.6985 NPC22082
Remote Similarity 0.6983 NPC474695
Remote Similarity 0.6978 NPC264589
Remote Similarity 0.694 NPC198988
Remote Similarity 0.6937 NPC329430
Remote Similarity 0.6934 NPC59084
Remote Similarity 0.6929 NPC469740
Remote Similarity 0.69 NPC98976
Remote Similarity 0.6884 NPC63157
Remote Similarity 0.6884 NPC473868
Remote Similarity 0.6879 NPC109787
Remote Similarity 0.6861 NPC301760
Remote Similarity 0.6861 NPC104483
Remote Similarity 0.6846 NPC476950
Remote Similarity 0.6822 NPC258046
Remote Similarity 0.6812 NPC2949
Remote Similarity 0.6806 NPC478076
Remote Similarity 0.68 NPC81561
Remote Similarity 0.6797 NPC329825
Remote Similarity 0.6788 NPC243162
Remote Similarity 0.6783 NPC33421
Remote Similarity 0.6783 NPC40070
Remote Similarity 0.6783 NPC66936
Remote Similarity 0.6772 NPC215519
Remote Similarity 0.6765 NPC325252
Remote Similarity 0.6763 NPC469537
Remote Similarity 0.6746 NPC177684
Remote Similarity 0.6746 NPC291962
Remote Similarity 0.6742 NPC473417
Remote Similarity 0.6742 NPC9856
Remote Similarity 0.6739 NPC470301
Remote Similarity 0.6727 NPC191444
Remote Similarity 0.6723 NPC434
Remote Similarity 0.672 NPC148140
Remote Similarity 0.6715 NPC314102
Remote Similarity 0.6715 NPC251722
Remote Similarity 0.6713 NPC473329
Remote Similarity 0.6697 NPC30445
Remote Similarity 0.6696 NPC322040
Remote Similarity 0.6693 NPC258531
Remote Similarity 0.6693 NPC112373
Remote Similarity 0.6693 NPC161956
Remote Similarity 0.6692 NPC122718
Remote Similarity 0.6691 NPC267508
Remote Similarity 0.6667 NPC154602
Remote Similarity 0.6667 NPC113946
Remote Similarity 0.6667 NPC313352
Remote Similarity 0.6667 NPC243756
Remote Similarity 0.6667 NPC475763
Remote Similarity 0.6644 NPC469741
Remote Similarity 0.6644 NPC476219
Remote Similarity 0.6642 NPC22079
Remote Similarity 0.6642 NPC475428
Remote Similarity 0.6641 NPC257490
Remote Similarity 0.6636 NPC169016
Remote Similarity 0.6636 NPC176858
Remote Similarity 0.6622 NPC221786
Remote Similarity 0.6622 NPC475990
Remote Similarity 0.6622 NPC474880
Remote Similarity 0.6621 NPC470233
Remote Similarity 0.662 NPC472100
Remote Similarity 0.6614 NPC226143
Remote Similarity 0.6614 NPC54102
Remote Similarity 0.6614 NPC162689
Remote Similarity 0.6607 NPC108800
Remote Similarity 0.6606 NPC262295
Remote Similarity 0.6599 NPC29285
Remote Similarity 0.6596 NPC311330
Remote Similarity 0.6594 NPC150259
Remote Similarity 0.6593 NPC475450
Remote Similarity 0.6589 NPC265605
Remote Similarity 0.6589 NPC182570
Remote Similarity 0.6589 NPC48564
Remote Similarity 0.6577 NPC78154
Remote Similarity 0.6577 NPC229173
Remote Similarity 0.6573 NPC212799
Remote Similarity 0.6567 NPC473587
Remote Similarity 0.6556 NPC475420
Remote Similarity 0.6554 NPC222029
Remote Similarity 0.6542 NPC134825
Remote Similarity 0.6538 NPC12857
Remote Similarity 0.6533 NPC472120
Remote Similarity 0.6533 NPC472101
Remote Similarity 0.6532 NPC314141
Remote Similarity 0.6528 NPC470111
Remote Similarity 0.6519 NPC53044
Remote Similarity 0.651 NPC471122
Remote Similarity 0.651 NPC56765
Remote Similarity 0.651 NPC6436
Remote Similarity 0.6503 NPC470440
Remote Similarity 0.65 NPC73767
Remote Similarity 0.6496 NPC474582
Remote Similarity 0.6493 NPC473762
Remote Similarity 0.649 NPC21174
Remote Similarity 0.649 NPC271797
Remote Similarity 0.6483 NPC318086
Remote Similarity 0.6471 NPC179365
Remote Similarity 0.6471 NPC475248
Remote Similarity 0.6471 NPC63047
Remote Similarity 0.6467 NPC255229
Remote Similarity 0.6467 NPC248117
Remote Similarity 0.6467 NPC81229
Remote Similarity 0.6467 NPC225319
Remote Similarity 0.6462 NPC268534
Remote Similarity 0.6454 NPC115611
Remote Similarity 0.6447 NPC472106
Remote Similarity 0.6443 NPC61013
Remote Similarity 0.6434 NPC116519
Remote Similarity 0.6429 NPC315051
Remote Similarity 0.6429 NPC169433
Remote Similarity 0.6424 NPC194881
Remote Similarity 0.6424 NPC99632
Remote Similarity 0.6424 NPC282339
Remote Similarity 0.6424 NPC85651
Remote Similarity 0.6423 NPC162417
Remote Similarity 0.6423 NPC316104
Remote Similarity 0.6423 NPC473930
Remote Similarity 0.6422 NPC229477
Remote Similarity 0.6412 NPC283130
Remote Similarity 0.6412 NPC328683
Remote Similarity 0.6405 NPC472114
Remote Similarity 0.6405 NPC472115
Remote Similarity 0.6404 NPC469330
Remote Similarity 0.6403 NPC218268
Remote Similarity 0.64 NPC193410
Remote Similarity 0.64 NPC36495
Remote Similarity 0.6395 NPC285381
Remote Similarity 0.6395 NPC122106
Remote Similarity 0.6389 NPC119677
Remote Similarity 0.6389 NPC204141
Remote Similarity 0.6383 NPC110126
Remote Similarity 0.6382 NPC90723
Remote Similarity 0.6379 NPC472258
Remote Similarity 0.6376 NPC51054
Remote Similarity 0.637 NPC187231
Remote Similarity 0.6364 NPC46358
Remote Similarity 0.6357 NPC91958
Remote Similarity 0.6357 NPC84911
Remote Similarity 0.6346 NPC473743
Remote Similarity 0.6346 NPC473880
Remote Similarity 0.6343 NPC250361
Remote Similarity 0.634 NPC471124
Remote Similarity 0.634 NPC2165
Remote Similarity 0.634 NPC195507
Remote Similarity 0.6338 NPC469780
Remote Similarity 0.6338 NPC469768
Remote Similarity 0.6338 NPC469783
Remote Similarity 0.6338 NPC469767
Remote Similarity 0.6338 NPC469761
Remote Similarity 0.6338 NPC469779
Remote Similarity 0.6338 NPC469784
Remote Similarity 0.6333 NPC104345
Remote Similarity 0.6323 NPC474897
Remote Similarity 0.6323 NPC472118
Remote Similarity 0.6316 NPC176983
Remote Similarity 0.6316 NPC472117
Remote Similarity 0.6316 NPC476322
Remote Similarity 0.6309 NPC476297
Remote Similarity 0.6308 NPC279385
Remote Similarity 0.6308 NPC179605
Remote Similarity 0.6301 NPC201380
Remote Similarity 0.6301 NPC179787
Remote Similarity 0.6294 NPC469766
Remote Similarity 0.6291 NPC206819
Remote Similarity 0.6291 NPC276085
Remote Similarity 0.6291 NPC318065
Remote Similarity 0.6288 NPC41174

Drug Structure

External Identifiers

TTD   DIB003622
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   9859407
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  228.16
ALogP  -0.4695
MLogP  2.89
XLogP  2.387
HDA  2
HBD  0
Rotatable Bonds  1
TPSA  6.48
RO5 Violation  0