Drug ID:   | NPD5024 |
Drug Name:   | benazeprilat |
Molecular Formula:   | C22H24N2O5 |
Canonical SMILES:   | OC(=O)CN1C(=O)[C@H](CCc2c1cccc2)N[C@H](C(=O)O)CCc1ccccc1 |
Standard InCHI:   | InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1 |
Standard InCHIKey:   | MADRIHWFJGRSBP-ROUUACIJSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | IUPHAR/BPS |
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 |
---|---|---|
Intermediate Similarity | 0.7736 | NPC189116 |
Intermediate Similarity | 0.7635 | NPC287358 |
Intermediate Similarity | 0.76 | NPC43477 |
Intermediate Similarity | 0.7552 | NPC322433 |
Intermediate Similarity | 0.7551 | NPC162417 |
Intermediate Similarity | 0.7551 | NPC316104 |
Intermediate Similarity | 0.75 | NPC68650 |
Intermediate Similarity | 0.7447 | NPC71684 |
Intermediate Similarity | 0.74 | NPC132636 |
Intermediate Similarity | 0.7349 | NPC285622 |
Intermediate Similarity | 0.7308 | NPC254798 |
Intermediate Similarity | 0.7284 | NPC472102 |
Intermediate Similarity | 0.7284 | NPC309531 |
Intermediate Similarity | 0.726 | NPC72473 |
Intermediate Similarity | 0.726 | NPC58827 |
Intermediate Similarity | 0.726 | NPC307437 |
Intermediate Similarity | 0.7219 | NPC14849 |
Intermediate Similarity | 0.7202 | NPC328611 |
Intermediate Similarity | 0.7188 | NPC469903 |
Intermediate Similarity | 0.7176 | NPC147298 |
Intermediate Similarity | 0.7176 | NPC182057 |
Intermediate Similarity | 0.7176 | NPC131450 |
Intermediate Similarity | 0.7168 | NPC307396 |
Intermediate Similarity | 0.7164 | NPC67043 |
Intermediate Similarity | 0.7159 | NPC276430 |
Intermediate Similarity | 0.7143 | NPC470301 |
Intermediate Similarity | 0.7118 | NPC15573 |
Intermediate Similarity | 0.7118 | NPC217372 |
Intermediate Similarity | 0.7118 | NPC183662 |
Intermediate Similarity | 0.7117 | NPC276085 |
Intermediate Similarity | 0.7108 | NPC472115 |
Intermediate Similarity | 0.7108 | NPC472114 |
Intermediate Similarity | 0.7108 | NPC182131 |
Intermediate Similarity | 0.7086 | NPC253476 |
Intermediate Similarity | 0.7086 | NPC474473 |
Intermediate Similarity | 0.7078 | NPC315051 |
Intermediate Similarity | 0.7076 | NPC219336 |
Intermediate Similarity | 0.7076 | NPC475094 |
Intermediate Similarity | 0.7073 | NPC474058 |
Intermediate Similarity | 0.7055 | NPC104345 |
Intermediate Similarity | 0.7055 | NPC222029 |
Intermediate Similarity | 0.7047 | NPC194562 |
Intermediate Similarity | 0.7045 | NPC284706 |
Intermediate Similarity | 0.7042 | NPC470545 |
Intermediate Similarity | 0.7032 | NPC471164 |
Intermediate Similarity | 0.7029 | NPC319579 |
Intermediate Similarity | 0.7029 | NPC94752 |
Intermediate Similarity | 0.7012 | NPC469902 |
Intermediate Similarity | 0.7012 | NPC36495 |
Intermediate Similarity | 0.7 | NPC248862 |
Remote Similarity | 0.6993 | NPC470546 |
Remote Similarity | 0.6988 | NPC138293 |
Remote Similarity | 0.6988 | NPC113056 |
Remote Similarity | 0.6982 | NPC355 |
Remote Similarity | 0.698 | NPC111428 |
Remote Similarity | 0.6972 | NPC470544 |
Remote Similarity | 0.6959 | NPC477937 |
Remote Similarity | 0.6954 | NPC477159 |
Remote Similarity | 0.6939 | NPC222466 |
Remote Similarity | 0.6936 | NPC91179 |
Remote Similarity | 0.6936 | NPC11149 |
Remote Similarity | 0.6928 | NPC286871 |
Remote Similarity | 0.6923 | NPC472118 |
Remote Similarity | 0.6914 | NPC228835 |
Remote Similarity | 0.6894 | NPC473329 |
Remote Similarity | 0.6892 | NPC101719 |
Remote Similarity | 0.6879 | NPC283219 |
Remote Similarity | 0.6875 | NPC220698 |
Remote Similarity | 0.6867 | NPC209389 |
Remote Similarity | 0.6867 | NPC473322 |
Remote Similarity | 0.6859 | NPC242933 |
Remote Similarity | 0.6845 | NPC477173 |
Remote Similarity | 0.6842 | NPC242269 |
Remote Similarity | 0.6839 | NPC122553 |
Remote Similarity | 0.6839 | NPC469896 |
Remote Similarity | 0.6832 | NPC300596 |
Remote Similarity | 0.6832 | NPC237649 |
Remote Similarity | 0.6826 | NPC99632 |
Remote Similarity | 0.6826 | NPC176983 |
Remote Similarity | 0.6826 | NPC282339 |
Remote Similarity | 0.6826 | NPC191863 |
Remote Similarity | 0.6826 | NPC133470 |
Remote Similarity | 0.6826 | NPC289776 |
Remote Similarity | 0.6825 | NPC478158 |
Remote Similarity | 0.6816 | NPC473298 |
Remote Similarity | 0.6809 | NPC470488 |
Remote Similarity | 0.6807 | NPC154478 |
Remote Similarity | 0.6805 | NPC214960 |
Remote Similarity | 0.6805 | NPC279527 |
Remote Similarity | 0.6802 | NPC469938 |
Remote Similarity | 0.6798 | NPC17059 |
Remote Similarity | 0.6793 | NPC106118 |
Remote Similarity | 0.6791 | NPC473376 |
Remote Similarity | 0.6788 | NPC473418 |
Remote Similarity | 0.6788 | NPC84317 |
Remote Similarity | 0.6788 | NPC476198 |
Remote Similarity | 0.6784 | NPC292265 |
Remote Similarity | 0.6782 | NPC248041 |
Remote Similarity | 0.6782 | NPC11126 |
Remote Similarity | 0.6782 | NPC126709 |
Remote Similarity | 0.6768 | NPC478076 |
Remote Similarity | 0.6767 | NPC293628 |
Remote Similarity | 0.6767 | NPC122493 |
Remote Similarity | 0.6767 | NPC10781 |
Remote Similarity | 0.6767 | NPC324569 |
Remote Similarity | 0.6766 | NPC225319 |
Remote Similarity | 0.6765 | NPC469904 |
Remote Similarity | 0.6761 | NPC35850 |
Remote Similarity | 0.6761 | NPC276949 |
Remote Similarity | 0.676 | NPC213629 |
Remote Similarity | 0.6757 | NPC254698 |
Remote Similarity | 0.6755 | NPC225400 |
Remote Similarity | 0.6748 | NPC66936 |
Remote Similarity | 0.6747 | NPC123241 |
Remote Similarity | 0.6747 | NPC61013 |
Remote Similarity | 0.6735 | NPC475915 |
Remote Similarity | 0.6733 | NPC136453 |
Remote Similarity | 0.6728 | NPC109787 |
Remote Similarity | 0.6726 | NPC472120 |
Remote Similarity | 0.6726 | NPC472117 |
Remote Similarity | 0.6726 | NPC472101 |
Remote Similarity | 0.6724 | NPC84827 |
Remote Similarity | 0.6724 | NPC14113 |
Remote Similarity | 0.6724 | NPC145885 |
Remote Similarity | 0.6722 | NPC128582 |
Remote Similarity | 0.672 | NPC471155 |
Remote Similarity | 0.672 | NPC472538 |
Remote Similarity | 0.672 | NPC470786 |
Remote Similarity | 0.6716 | NPC322598 |
Remote Similarity | 0.6713 | NPC33742 |
Remote Similarity | 0.6711 | NPC22746 |
Remote Similarity | 0.6711 | NPC192533 |
Remote Similarity | 0.671 | NPC173295 |
Remote Similarity | 0.6709 | NPC468984 |
Remote Similarity | 0.6709 | NPC161069 |
Remote Similarity | 0.6708 | NPC478039 |
Remote Similarity | 0.6707 | NPC193410 |
Remote Similarity | 0.6707 | NPC473002 |
Remote Similarity | 0.6707 | NPC473003 |
Remote Similarity | 0.6707 | NPC471122 |
Remote Similarity | 0.6705 | NPC149155 |
Remote Similarity | 0.6705 | NPC203468 |
Remote Similarity | 0.6705 | NPC110500 |
Remote Similarity | 0.6703 | NPC293917 |
Remote Similarity | 0.669 | NPC474584 |
Remote Similarity | 0.6689 | NPC152850 |
Remote Similarity | 0.6689 | NPC239990 |
Remote Similarity | 0.6689 | NPC89923 |
Remote Similarity | 0.6689 | NPC71933 |
Remote Similarity | 0.6689 | NPC105114 |
Remote Similarity | 0.6687 | NPC63370 |
Remote Similarity | 0.6687 | NPC36836 |
Remote Similarity | 0.6687 | NPC29285 |
Remote Similarity | 0.6685 | NPC259626 |
Remote Similarity | 0.6684 | NPC270241 |
Remote Similarity | 0.6684 | NPC471436 |
Remote Similarity | 0.6684 | NPC285192 |
Remote Similarity | 0.6667 | NPC472241 |
Remote Similarity | 0.6667 | NPC212799 |
Remote Similarity | 0.6667 | NPC474926 |
Remote Similarity | 0.6667 | NPC470317 |
Remote Similarity | 0.6667 | NPC321708 |
Remote Similarity | 0.6667 | NPC201424 |
Remote Similarity | 0.6667 | NPC255447 |
Remote Similarity | 0.6667 | NPC267885 |
Remote Similarity | 0.6667 | NPC248117 |
Remote Similarity | 0.6667 | NPC13470 |
Remote Similarity | 0.6667 | NPC279385 |
Remote Similarity | 0.6667 | NPC179605 |
Remote Similarity | 0.6649 | NPC171317 |
Remote Similarity | 0.6649 | NPC477179 |
Remote Similarity | 0.6649 | NPC478157 |
Remote Similarity | 0.6648 | NPC235684 |
Remote Similarity | 0.6647 | NPC471124 |
Remote Similarity | 0.6647 | NPC472106 |
Remote Similarity | 0.6647 | NPC471130 |
Remote Similarity | 0.6646 | NPC314223 |
Remote Similarity | 0.6646 | NPC472242 |
Remote Similarity | 0.6644 | NPC35996 |
Remote Similarity | 0.6642 | NPC164859 |
Remote Similarity | 0.6633 | NPC248601 |
Remote Similarity | 0.6633 | NPC281049 |
Remote Similarity | 0.6632 | NPC75634 |
Remote Similarity | 0.6629 | NPC2933 |
Remote Similarity | 0.6627 | NPC88970 |
Remote Similarity | 0.6627 | NPC293458 |
Remote Similarity | 0.6625 | NPC315266 |
Remote Similarity | 0.6625 | NPC209509 |
Remote Similarity | 0.6625 | NPC308197 |
Remote Similarity | 0.6622 | NPC103292 |
Remote Similarity | 0.6622 | NPC257490 |
Remote Similarity | 0.6621 | NPC315276 |
Remote Similarity | 0.6621 | NPC285926 |
Remote Similarity | 0.6621 | NPC14672 |
Remote Similarity | 0.6621 | NPC313673 |
Remote Similarity | 0.662 | NPC329011 |
Remote Similarity | 0.6614 | NPC477178 |
Remote Similarity | 0.6614 | NPC254850 |
Remote Similarity | 0.6614 | NPC477181 |
Remote Similarity | 0.6614 | NPC477180 |
TTD   | |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | 6375 |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 396.17 |
ALogP   | -2.502 |
MLogP   | 3.11 |
XLogP   | 5.532 |
HDA   | 7 |
HBD   | 3 |
Rotatable Bonds   | 10 |
TPSA   | 106.94 |
RO5 Violation   | 1 |