Drug Information

Drug ID:  NPD9566
Drug Name:  L-Phenylalanine
Molecular Formula:  C9H11NO2
Canonical SMILES:  N[C@H](C(=O)O)Cc1ccccc1
Standard InCHI:  InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
Standard InCHIKey:  COLNVLDHVKWLRT-QMMMGPOBSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; DrugBank

  Structural Similarity Between NPASS Natural Products and NPD9566

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 NPC293628
High Similarity 1.0 NPC122493
High Similarity 1.0 NPC10781
High Similarity 0.978 NPC324569
High Similarity 0.9278 NPC67043
High Similarity 0.9271 NPC164859
High Similarity 0.8958 NPC12730
High Similarity 0.8824 NPC319579
High Similarity 0.88 NPC327481
High Similarity 0.8738 NPC329011
High Similarity 0.8654 NPC474584
Intermediate Similarity 0.8469 NPC322598
Intermediate Similarity 0.8411 NPC197470
Intermediate Similarity 0.8333 NPC106551
Intermediate Similarity 0.8333 NPC281686
Intermediate Similarity 0.8333 NPC188867
Intermediate Similarity 0.8222 NPC127343
Intermediate Similarity 0.8113 NPC313981
Intermediate Similarity 0.8108 NPC239697
Intermediate Similarity 0.8018 NPC142638
Intermediate Similarity 0.8018 NPC317784
Intermediate Similarity 0.7981 NPC476198
Intermediate Similarity 0.7965 NPC326079
Intermediate Similarity 0.7959 NPC323164
Intermediate Similarity 0.7957 NPC285773
Intermediate Similarity 0.7957 NPC44830
Intermediate Similarity 0.7917 NPC325441
Intermediate Similarity 0.7879 NPC291070
Intermediate Similarity 0.7879 NPC246757
Intermediate Similarity 0.7857 NPC314992
Intermediate Similarity 0.7838 NPC2265
Intermediate Similarity 0.7826 NPC35996
Intermediate Similarity 0.7789 NPC95965
Intermediate Similarity 0.7755 NPC258627
Intermediate Similarity 0.7739 NPC27581
Intermediate Similarity 0.7629 NPC322387
Intermediate Similarity 0.7627 NPC477937
Intermediate Similarity 0.7611 NPC169328
Intermediate Similarity 0.7573 NPC303611
Intermediate Similarity 0.7573 NPC226096
Intermediate Similarity 0.7573 NPC164514
Intermediate Similarity 0.7573 NPC108606
Intermediate Similarity 0.7573 NPC290515
Intermediate Similarity 0.7563 NPC58827
Intermediate Similarity 0.7563 NPC307437
Intermediate Similarity 0.7563 NPC72473
Intermediate Similarity 0.7551 NPC329064
Intermediate Similarity 0.7544 NPC310467
Intermediate Similarity 0.75 NPC145888
Intermediate Similarity 0.75 NPC16031
Intermediate Similarity 0.75 NPC226438
Intermediate Similarity 0.75 NPC161593
Intermediate Similarity 0.7478 NPC319950
Intermediate Similarity 0.7453 NPC471317
Intermediate Similarity 0.7451 NPC215351
Intermediate Similarity 0.7451 NPC20142
Intermediate Similarity 0.7438 NPC325651
Intermediate Similarity 0.7414 NPC190663
Intermediate Similarity 0.7414 NPC80150
Intermediate Similarity 0.74 NPC70940
Intermediate Similarity 0.74 NPC274455
Intermediate Similarity 0.74 NPC86670
Intermediate Similarity 0.7396 NPC288903
Intermediate Similarity 0.7363 NPC122327
Intermediate Similarity 0.7363 NPC113000
Intermediate Similarity 0.7363 NPC112609
Intermediate Similarity 0.7327 NPC317645
Intermediate Similarity 0.7317 NPC48909
Intermediate Similarity 0.7288 NPC160493
Intermediate Similarity 0.7288 NPC142577
Intermediate Similarity 0.7282 NPC161972
Intermediate Similarity 0.7282 NPC303045
Intermediate Similarity 0.7265 NPC478014
Intermediate Similarity 0.7265 NPC478016
Intermediate Similarity 0.7265 NPC478015
Intermediate Similarity 0.7258 NPC88667
Intermediate Similarity 0.7257 NPC35850
Intermediate Similarity 0.7257 NPC276949
Intermediate Similarity 0.7245 NPC294134
Intermediate Similarity 0.7241 NPC237420
Intermediate Similarity 0.7228 NPC316108
Intermediate Similarity 0.7222 NPC229235
Intermediate Similarity 0.7222 NPC150254
Intermediate Similarity 0.7222 NPC147000
Intermediate Similarity 0.7222 NPC304761
Intermediate Similarity 0.7222 NPC226778
Intermediate Similarity 0.7212 NPC25565
Intermediate Similarity 0.7212 NPC3371
Intermediate Similarity 0.7203 NPC56634
Intermediate Similarity 0.7203 NPC71684
Intermediate Similarity 0.7193 NPC33742
Intermediate Similarity 0.7157 NPC86987
Intermediate Similarity 0.7157 NPC110704
Intermediate Similarity 0.7143 NPC473501
Intermediate Similarity 0.7143 NPC314835
Intermediate Similarity 0.7143 NPC311242
Intermediate Similarity 0.7143 NPC475439
Intermediate Similarity 0.7143 NPC155429
Intermediate Similarity 0.7128 NPC290638
Intermediate Similarity 0.7128 NPC325662
Intermediate Similarity 0.7128 NPC98269
Intermediate Similarity 0.7115 NPC172925
Intermediate Similarity 0.7107 NPC47667
Intermediate Similarity 0.7107 NPC4974
Intermediate Similarity 0.7091 NPC274089
Intermediate Similarity 0.7091 NPC191215
Intermediate Similarity 0.7083 NPC309279
Intermediate Similarity 0.7083 NPC192623
Intermediate Similarity 0.704 NPC326966
Intermediate Similarity 0.7037 NPC327226
Intermediate Similarity 0.7037 NPC318154
Intermediate Similarity 0.7031 NPC132636
Intermediate Similarity 0.703 NPC477704
Intermediate Similarity 0.703 NPC477693
Intermediate Similarity 0.7025 NPC222466
Remote Similarity 0.6992 NPC199738
Remote Similarity 0.6992 NPC210950
Remote Similarity 0.6992 NPC476353
Remote Similarity 0.6992 NPC321561
Remote Similarity 0.6981 NPC477767
Remote Similarity 0.6972 NPC202613
Remote Similarity 0.6967 NPC101719
Remote Similarity 0.6961 NPC9822
Remote Similarity 0.6961 NPC470877
Remote Similarity 0.6939 NPC323103
Remote Similarity 0.6935 NPC311753
Remote Similarity 0.6935 NPC296712
Remote Similarity 0.6931 NPC471638
Remote Similarity 0.6923 NPC315276
Remote Similarity 0.6923 NPC282087
Remote Similarity 0.6923 NPC259800
Remote Similarity 0.6923 NPC14672
Remote Similarity 0.6923 NPC328137
Remote Similarity 0.6923 NPC318984
Remote Similarity 0.6923 NPC285926
Remote Similarity 0.6923 NPC241086
Remote Similarity 0.6923 NPC317741
Remote Similarity 0.6923 NPC318028
Remote Similarity 0.6916 NPC160548
Remote Similarity 0.6916 NPC175852
Remote Similarity 0.6916 NPC229242
Remote Similarity 0.6916 NPC210529
Remote Similarity 0.6916 NPC271475
Remote Similarity 0.6915 NPC276699
Remote Similarity 0.6907 NPC121800
Remote Similarity 0.6903 NPC158854
Remote Similarity 0.6899 NPC287358
Remote Similarity 0.6893 NPC62765
Remote Similarity 0.6893 NPC78041
Remote Similarity 0.6893 NPC141139
Remote Similarity 0.6893 NPC121872
Remote Similarity 0.6893 NPC471307
Remote Similarity 0.6893 NPC84288
Remote Similarity 0.6893 NPC74936
Remote Similarity 0.6893 NPC209764
Remote Similarity 0.6893 NPC159178
Remote Similarity 0.688 NPC478147
Remote Similarity 0.687 NPC57976
Remote Similarity 0.6869 NPC270507
Remote Similarity 0.6864 NPC470545
Remote Similarity 0.686 NPC84281
Remote Similarity 0.686 NPC317474
Remote Similarity 0.686 NPC291027
Remote Similarity 0.686 NPC169485
Remote Similarity 0.686 NPC213126
Remote Similarity 0.6852 NPC125732
Remote Similarity 0.6852 NPC245561
Remote Similarity 0.6852 NPC217621
Remote Similarity 0.6842 NPC139658
Remote Similarity 0.6838 NPC188010
Remote Similarity 0.6833 NPC45777
Remote Similarity 0.6833 NPC477061
Remote Similarity 0.6829 NPC474847
Remote Similarity 0.6827 NPC141607
Remote Similarity 0.6827 NPC187725
Remote Similarity 0.6822 NPC472788
Remote Similarity 0.6822 NPC253423
Remote Similarity 0.6818 NPC68055
Remote Similarity 0.6818 NPC66518
Remote Similarity 0.6807 NPC470546
Remote Similarity 0.6807 NPC229353
Remote Similarity 0.6804 NPC170484
Remote Similarity 0.68 NPC111428
Remote Similarity 0.6794 NPC197239
Remote Similarity 0.6794 NPC326860
Remote Similarity 0.6792 NPC58674
Remote Similarity 0.6789 NPC128248
Remote Similarity 0.6789 NPC264728
Remote Similarity 0.6789 NPC136810
Remote Similarity 0.6789 NPC133809
Remote Similarity 0.6789 NPC228400
Remote Similarity 0.6789 NPC225079
Remote Similarity 0.6789 NPC52472
Remote Similarity 0.6789 NPC214200
Remote Similarity 0.6789 NPC94487
Remote Similarity 0.678 NPC470544
Remote Similarity 0.6774 NPC208302
Remote Similarity 0.6774 NPC74458
Remote Similarity 0.6772 NPC246913
Remote Similarity 0.6772 NPC45191

Drug Structure

External Identifiers

TTD   DAP000807
DrugBank   DB00120
ChEMBL   CHEMBL301523
IUPHAR/BPS  
PharmaGKB   PA450931
KEGG Drug   D00021
PubChem CID   6140
ChEBI   17295
CAS Number  63-91-2

Drug Properties

Molecular Weight  165.08
ALogP  -1.0844
MLogP  2.12
XLogP  0.441
HDA  3
HBD  2
Rotatable Bonds  5
TPSA  63.32
RO5 Violation  0