Drug Information

Drug ID:  NPD9380
Drug Name:  
Molecular Formula:  C8H11NO2
Canonical SMILES:  NCC(c1ccc(cc1)O)O
Standard InCHI:  InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2
Standard InCHIKey:  QHGUCRYDKWKLMG-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9380

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 1.0 NPC290566
High Similarity 1.0 NPC145638
High Similarity 0.9439 NPC10286
High Similarity 0.9439 NPC213
High Similarity 0.9109 NPC125732
High Similarity 0.9018 NPC169207
High Similarity 0.9018 NPC115627
High Similarity 0.9018 NPC118522
High Similarity 0.8713 NPC20142
High Similarity 0.8713 NPC215351
High Similarity 0.8667 NPC68055
High Similarity 0.8627 NPC313650
High Similarity 0.8584 NPC137096
Intermediate Similarity 0.8487 NPC323775
Intermediate Similarity 0.8487 NPC236347
Intermediate Similarity 0.8476 NPC29601
Intermediate Similarity 0.8468 NPC146422
Intermediate Similarity 0.8462 NPC164514
Intermediate Similarity 0.8462 NPC226096
Intermediate Similarity 0.8462 NPC303611
Intermediate Similarity 0.8462 NPC108606
Intermediate Similarity 0.8462 NPC290515
Intermediate Similarity 0.8431 NPC325292
Intermediate Similarity 0.8431 NPC138117
Intermediate Similarity 0.8416 NPC300478
Intermediate Similarity 0.8416 NPC300017
Intermediate Similarity 0.8333 NPC281686
Intermediate Similarity 0.8333 NPC188867
Intermediate Similarity 0.8333 NPC106551
Intermediate Similarity 0.8318 NPC178902
Intermediate Similarity 0.8302 NPC289381
Intermediate Similarity 0.8302 NPC155847
Intermediate Similarity 0.8286 NPC107619
Intermediate Similarity 0.8224 NPC327226
Intermediate Similarity 0.8218 NPC104216
Intermediate Similarity 0.8211 NPC326599
Intermediate Similarity 0.8211 NPC329595
Intermediate Similarity 0.812 NPC239697
Intermediate Similarity 0.812 NPC283760
Intermediate Similarity 0.8108 NPC153690
Intermediate Similarity 0.8091 NPC231705
Intermediate Similarity 0.8083 NPC307020
Intermediate Similarity 0.8073 NPC147000
Intermediate Similarity 0.8073 NPC304761
Intermediate Similarity 0.8073 NPC150254
Intermediate Similarity 0.8073 NPC226778
Intermediate Similarity 0.807 NPC59387
Intermediate Similarity 0.8037 NPC132078
Intermediate Similarity 0.8037 NPC216468
Intermediate Similarity 0.8037 NPC78119
Intermediate Similarity 0.8037 NPC51333
Intermediate Similarity 0.8036 NPC258056
Intermediate Similarity 0.8034 NPC85276
Intermediate Similarity 0.8033 NPC322366
Intermediate Similarity 0.8018 NPC142297
Intermediate Similarity 0.8 NPC42383
Intermediate Similarity 0.7965 NPC474149
Intermediate Similarity 0.7963 NPC213730
Intermediate Similarity 0.7946 NPC24101
Intermediate Similarity 0.7946 NPC97811
Intermediate Similarity 0.7946 NPC96224
Intermediate Similarity 0.7941 NPC23167
Intermediate Similarity 0.7921 NPC175313
Intermediate Similarity 0.7909 NPC12278
Intermediate Similarity 0.789 NPC40258
Intermediate Similarity 0.789 NPC91461
Intermediate Similarity 0.789 NPC7686
Intermediate Similarity 0.7881 NPC142638
Intermediate Similarity 0.7881 NPC317784
Intermediate Similarity 0.787 NPC128723
Intermediate Similarity 0.7869 NPC95733
Intermediate Similarity 0.7869 NPC62101
Intermediate Similarity 0.7864 NPC113460
Intermediate Similarity 0.7864 NPC25493
Intermediate Similarity 0.7857 NPC208757
Intermediate Similarity 0.7845 NPC118202
Intermediate Similarity 0.7843 NPC197783
Intermediate Similarity 0.7822 NPC265146
Intermediate Similarity 0.781 NPC45040
Intermediate Similarity 0.7805 NPC29477
Intermediate Similarity 0.7798 NPC130103
Intermediate Similarity 0.7788 NPC280347
Intermediate Similarity 0.7788 NPC258219
Intermediate Similarity 0.7788 NPC177420
Intermediate Similarity 0.7788 NPC318325
Intermediate Similarity 0.7788 NPC123273
Intermediate Similarity 0.7788 NPC242240
Intermediate Similarity 0.7787 NPC13020
Intermediate Similarity 0.7787 NPC318777
Intermediate Similarity 0.7787 NPC140359
Intermediate Similarity 0.7778 NPC317254
Intermediate Similarity 0.7778 NPC474073
Intermediate Similarity 0.7769 NPC27581
Intermediate Similarity 0.7769 NPC474862
Intermediate Similarity 0.7759 NPC26524
Intermediate Similarity 0.7745 NPC248817
Intermediate Similarity 0.7727 NPC110764
Intermediate Similarity 0.7714 NPC55561
Intermediate Similarity 0.7714 NPC47950
Intermediate Similarity 0.7714 NPC312304
Intermediate Similarity 0.7712 NPC82963
Intermediate Similarity 0.7706 NPC80027
Intermediate Similarity 0.7699 NPC251306
Intermediate Similarity 0.7699 NPC186469
Intermediate Similarity 0.7692 NPC142599
Intermediate Similarity 0.7692 NPC115803
Intermediate Similarity 0.7686 NPC326079
Intermediate Similarity 0.7686 NPC318357
Intermediate Similarity 0.7679 NPC154899
Intermediate Similarity 0.7679 NPC471350
Intermediate Similarity 0.7679 NPC233396
Intermediate Similarity 0.7674 NPC64205
Intermediate Similarity 0.767 NPC155393
Intermediate Similarity 0.7664 NPC128062
Intermediate Similarity 0.7664 NPC151715
Intermediate Similarity 0.7658 NPC305205
Intermediate Similarity 0.7652 NPC475018
Intermediate Similarity 0.7647 NPC38458
Intermediate Similarity 0.7647 NPC124436
Intermediate Similarity 0.7647 NPC311737
Intermediate Similarity 0.7642 NPC304541
Intermediate Similarity 0.7642 NPC211218
Intermediate Similarity 0.7636 NPC228400
Intermediate Similarity 0.7636 NPC214200
Intermediate Similarity 0.7636 NPC294741
Intermediate Similarity 0.7611 NPC135464
Intermediate Similarity 0.7611 NPC92623
Intermediate Similarity 0.7596 NPC184169
Intermediate Similarity 0.7596 NPC307235
Intermediate Similarity 0.7596 NPC407
Intermediate Similarity 0.7593 NPC274678
Intermediate Similarity 0.7593 NPC286006
Intermediate Similarity 0.7593 NPC26244
Intermediate Similarity 0.7568 NPC101025
Intermediate Similarity 0.7568 NPC471578
Intermediate Similarity 0.7565 NPC306045
Intermediate Similarity 0.7565 NPC172046
Intermediate Similarity 0.7565 NPC265211
Intermediate Similarity 0.7547 NPC151764
Intermediate Similarity 0.7545 NPC100870
Intermediate Similarity 0.7545 NPC131587
Intermediate Similarity 0.7544 NPC61033
Intermediate Similarity 0.7544 NPC305603
Intermediate Similarity 0.7541 NPC284078
Intermediate Similarity 0.754 NPC145888
Intermediate Similarity 0.754 NPC161593
Intermediate Similarity 0.754 NPC16031
Intermediate Similarity 0.7524 NPC27974
Intermediate Similarity 0.7523 NPC473388
Intermediate Similarity 0.7522 NPC8302
Intermediate Similarity 0.7521 NPC42911
Intermediate Similarity 0.7521 NPC290353
Intermediate Similarity 0.7521 NPC153795
Intermediate Similarity 0.7521 NPC319950
Intermediate Similarity 0.75 NPC120075
Intermediate Similarity 0.75 NPC27323
Intermediate Similarity 0.75 NPC316301
Intermediate Similarity 0.748 NPC325651
Intermediate Similarity 0.7478 NPC262365
Intermediate Similarity 0.7478 NPC317305
Intermediate Similarity 0.7477 NPC174911
Intermediate Similarity 0.7477 NPC155908
Intermediate Similarity 0.7477 NPC270547
Intermediate Similarity 0.7477 NPC204210
Intermediate Similarity 0.7455 NPC109955
Intermediate Similarity 0.7455 NPC260000
Intermediate Similarity 0.7455 NPC315921
Intermediate Similarity 0.7453 NPC98772
Intermediate Similarity 0.7444 NPC168861
Intermediate Similarity 0.7444 NPC469360
Intermediate Similarity 0.7442 NPC88667
Intermediate Similarity 0.7436 NPC21890
Intermediate Similarity 0.7434 NPC119860
Intermediate Similarity 0.7434 NPC30506
Intermediate Similarity 0.7431 NPC8392
Intermediate Similarity 0.7426 NPC117180
Intermediate Similarity 0.7424 NPC214988
Intermediate Similarity 0.7424 NPC474673
Intermediate Similarity 0.7414 NPC55617
Intermediate Similarity 0.7414 NPC473524
Intermediate Similarity 0.7414 NPC326187
Intermediate Similarity 0.7414 NPC62258
Intermediate Similarity 0.7414 NPC71266
Intermediate Similarity 0.7414 NPC316052
Intermediate Similarity 0.7407 NPC181709
Intermediate Similarity 0.7404 NPC286904
Intermediate Similarity 0.7395 NPC473137
Intermediate Similarity 0.7395 NPC12656
Intermediate Similarity 0.7395 NPC120280
Intermediate Similarity 0.7395 NPC157338
Intermediate Similarity 0.7387 NPC171843
Intermediate Similarity 0.7387 NPC245561
Intermediate Similarity 0.7387 NPC92730
Intermediate Similarity 0.7387 NPC280869
Intermediate Similarity 0.7383 NPC192
Intermediate Similarity 0.7381 NPC318965
Intermediate Similarity 0.7381 NPC320242
Intermediate Similarity 0.7377 NPC43275
Intermediate Similarity 0.7377 NPC268572
Intermediate Similarity 0.7373 NPC473521

Drug Structure

External Identifiers

TTD   DCL000184
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   4581
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  153.08
ALogP  -1.7093
MLogP  2.01
XLogP  0.074
HDA  2
HBD  3
Rotatable Bonds  5
TPSA  66.48
RO5 Violation  0