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 |
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.
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 |
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 |