Drug ID:   | NPD5581 |
Drug Name:   | quinaprilat |
Molecular Formula:   | C23H26N2O5 |
Canonical SMILES:   | OC(=O)[C@@H](N[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)C)CCc1ccccc1 |
Standard InCHI:   | InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1 |
Standard InCHIKey:   | FLSLEGPOVLMJMN-YSSFQJQWSA-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 | 0.8154 | NPC71684 |
Intermediate Similarity | 0.8058 | NPC132636 |
Intermediate Similarity | 0.7886 | NPC473418 |
Intermediate Similarity | 0.7886 | NPC67043 |
Intermediate Similarity | 0.7737 | NPC111428 |
Intermediate Similarity | 0.7714 | NPC474473 |
Intermediate Similarity | 0.771 | NPC470545 |
Intermediate Similarity | 0.7652 | NPC470546 |
Intermediate Similarity | 0.7634 | NPC470544 |
Intermediate Similarity | 0.7609 | NPC473322 |
Intermediate Similarity | 0.7591 | NPC477937 |
Intermediate Similarity | 0.7578 | NPC319579 |
Intermediate Similarity | 0.7574 | NPC222466 |
Intermediate Similarity | 0.7518 | NPC101719 |
Intermediate Similarity | 0.7464 | NPC136453 |
Intermediate Similarity | 0.746 | NPC476198 |
Intermediate Similarity | 0.7447 | NPC257390 |
Intermediate Similarity | 0.7434 | NPC469903 |
Intermediate Similarity | 0.741 | NPC152850 |
Intermediate Similarity | 0.741 | NPC71933 |
Intermediate Similarity | 0.741 | NPC105114 |
Intermediate Similarity | 0.741 | NPC89923 |
Intermediate Similarity | 0.741 | NPC239990 |
Intermediate Similarity | 0.7398 | NPC322598 |
Intermediate Similarity | 0.7376 | NPC255447 |
Intermediate Similarity | 0.7348 | NPC33742 |
Intermediate Similarity | 0.7328 | NPC474584 |
Intermediate Similarity | 0.7319 | NPC22746 |
Intermediate Similarity | 0.7317 | NPC122493 |
Intermediate Similarity | 0.7317 | NPC293628 |
Intermediate Similarity | 0.7317 | NPC324569 |
Intermediate Similarity | 0.7317 | NPC10781 |
Intermediate Similarity | 0.7279 | NPC161069 |
Intermediate Similarity | 0.7279 | NPC468984 |
Intermediate Similarity | 0.7273 | NPC35850 |
Intermediate Similarity | 0.7273 | NPC276949 |
Intermediate Similarity | 0.7259 | NPC220698 |
Intermediate Similarity | 0.7254 | NPC157311 |
Intermediate Similarity | 0.7248 | NPC314114 |
Intermediate Similarity | 0.7246 | NPC35996 |
Intermediate Similarity | 0.7244 | NPC469902 |
Intermediate Similarity | 0.7244 | NPC471527 |
Intermediate Similarity | 0.7203 | NPC8761 |
Intermediate Similarity | 0.7203 | NPC44805 |
Intermediate Similarity | 0.719 | NPC473341 |
Intermediate Similarity | 0.7181 | NPC209509 |
Intermediate Similarity | 0.7181 | NPC315266 |
Intermediate Similarity | 0.717 | NPC471771 |
Intermediate Similarity | 0.717 | NPC290755 |
Intermediate Similarity | 0.717 | NPC304074 |
Intermediate Similarity | 0.7165 | NPC164859 |
Intermediate Similarity | 0.7153 | NPC200964 |
Intermediate Similarity | 0.7143 | NPC163392 |
Intermediate Similarity | 0.7143 | NPC239762 |
Intermediate Similarity | 0.7134 | NPC475544 |
Intermediate Similarity | 0.7134 | NPC469243 |
Intermediate Similarity | 0.7132 | NPC327481 |
Intermediate Similarity | 0.7123 | NPC127741 |
Intermediate Similarity | 0.7121 | NPC329011 |
Intermediate Similarity | 0.7111 | NPC285926 |
Intermediate Similarity | 0.7111 | NPC14672 |
Intermediate Similarity | 0.7111 | NPC239357 |
Intermediate Similarity | 0.7111 | NPC315276 |
Intermediate Similarity | 0.7107 | NPC223207 |
Intermediate Similarity | 0.7107 | NPC189116 |
Intermediate Similarity | 0.7086 | NPC138775 |
Intermediate Similarity | 0.7081 | NPC469904 |
Intermediate Similarity | 0.7078 | NPC122590 |
Intermediate Similarity | 0.7063 | NPC200589 |
Intermediate Similarity | 0.7037 | NPC197470 |
Intermediate Similarity | 0.7029 | NPC302169 |
Intermediate Similarity | 0.7025 | NPC473003 |
Intermediate Similarity | 0.7016 | NPC329430 |
Intermediate Similarity | 0.7 | NPC6975 |
Remote Similarity | 0.6993 | NPC469666 |
Remote Similarity | 0.6993 | NPC13470 |
Remote Similarity | 0.698 | NPC263493 |
Remote Similarity | 0.698 | NPC269398 |
Remote Similarity | 0.6978 | NPC314192 |
Remote Similarity | 0.6974 | NPC311658 |
Remote Similarity | 0.6972 | NPC322433 |
Remote Similarity | 0.6962 | NPC1390 |
Remote Similarity | 0.6962 | NPC62104 |
Remote Similarity | 0.6959 | NPC77992 |
Remote Similarity | 0.6933 | NPC139326 |
Remote Similarity | 0.6929 | NPC12730 |
Remote Similarity | 0.6928 | NPC105717 |
Remote Similarity | 0.6923 | NPC473002 |
Remote Similarity | 0.6908 | NPC262077 |
Remote Similarity | 0.6906 | NPC27833 |
Remote Similarity | 0.6899 | NPC324850 |
Remote Similarity | 0.6897 | NPC126458 |
Remote Similarity | 0.6892 | NPC478140 |
Remote Similarity | 0.6892 | NPC68865 |
Remote Similarity | 0.6887 | NPC52748 |
Remote Similarity | 0.6884 | NPC314992 |
Remote Similarity | 0.6883 | NPC2501 |
Remote Similarity | 0.6879 | NPC473580 |
Remote Similarity | 0.6875 | NPC73644 |
Remote Similarity | 0.6867 | NPC196243 |
Remote Similarity | 0.6857 | NPC202521 |
Remote Similarity | 0.6849 | NPC246913 |
Remote Similarity | 0.6846 | NPC98424 |
Remote Similarity | 0.6846 | NPC470884 |
Remote Similarity | 0.6846 | NPC287358 |
Remote Similarity | 0.6846 | NPC476133 |
Remote Similarity | 0.6846 | NPC92784 |
Remote Similarity | 0.6846 | NPC178662 |
Remote Similarity | 0.6842 | NPC5620 |
Remote Similarity | 0.6832 | NPC471052 |
Remote Similarity | 0.6832 | NPC471053 |
Remote Similarity | 0.6832 | NPC471051 |
Remote Similarity | 0.6829 | NPC274198 |
Remote Similarity | 0.6829 | NPC198254 |
Remote Similarity | 0.6829 | NPC276506 |
Remote Similarity | 0.6826 | NPC473001 |
Remote Similarity | 0.6824 | NPC314835 |
Remote Similarity | 0.6821 | NPC197682 |
Remote Similarity | 0.6806 | NPC319766 |
Remote Similarity | 0.68 | NPC476259 |
Remote Similarity | 0.679 | NPC63931 |
Remote Similarity | 0.679 | NPC5719 |
Remote Similarity | 0.679 | NPC217804 |
Remote Similarity | 0.679 | NPC210377 |
Remote Similarity | 0.679 | NPC22883 |
Remote Similarity | 0.6788 | NPC101139 |
Remote Similarity | 0.6786 | NPC476990 |
Remote Similarity | 0.6783 | NPC474847 |
Remote Similarity | 0.6781 | NPC130309 |
Remote Similarity | 0.6779 | NPC471264 |
Remote Similarity | 0.6779 | NPC471265 |
Remote Similarity | 0.6776 | NPC476978 |
Remote Similarity | 0.6774 | NPC470926 |
Remote Similarity | 0.6774 | NPC254798 |
Remote Similarity | 0.6761 | NPC175726 |
Remote Similarity | 0.6761 | NPC474082 |
Remote Similarity | 0.6757 | NPC248283 |
Remote Similarity | 0.6755 | NPC168113 |
Remote Similarity | 0.6752 | NPC286551 |
Remote Similarity | 0.6748 | NPC15068 |
Remote Similarity | 0.6747 | NPC306804 |
Remote Similarity | 0.6747 | NPC285622 |
Remote Similarity | 0.6742 | NPC45033 |
Remote Similarity | 0.6739 | NPC2265 |
Remote Similarity | 0.6735 | NPC246079 |
Remote Similarity | 0.6731 | NPC475168 |
Remote Similarity | 0.6731 | NPC7817 |
Remote Similarity | 0.6712 | NPC69496 |
Remote Similarity | 0.6712 | NPC325651 |
Remote Similarity | 0.6711 | NPC151706 |
Remote Similarity | 0.6711 | NPC57976 |
Remote Similarity | 0.6711 | NPC9687 |
Remote Similarity | 0.6711 | NPC76785 |
Remote Similarity | 0.6711 | NPC176226 |
Remote Similarity | 0.6711 | NPC474811 |
Remote Similarity | 0.6711 | NPC475318 |
Remote Similarity | 0.6711 | NPC476102 |
Remote Similarity | 0.6711 | NPC79465 |
Remote Similarity | 0.6711 | NPC260045 |
Remote Similarity | 0.6711 | NPC474787 |
Remote Similarity | 0.6711 | NPC90194 |
Remote Similarity | 0.6711 | NPC475598 |
Remote Similarity | 0.6711 | NPC273907 |
Remote Similarity | 0.6711 | NPC293377 |
Remote Similarity | 0.6711 | NPC474855 |
Remote Similarity | 0.6711 | NPC49577 |
Remote Similarity | 0.6711 | NPC118099 |
Remote Similarity | 0.6711 | NPC77905 |
Remote Similarity | 0.671 | NPC471821 |
Remote Similarity | 0.671 | NPC471820 |
Remote Similarity | 0.6708 | NPC469901 |
Remote Similarity | 0.6707 | NPC63040 |
Remote Similarity | 0.669 | NPC169485 |
Remote Similarity | 0.669 | NPC291027 |
Remote Similarity | 0.669 | NPC84281 |
Remote Similarity | 0.669 | NPC317474 |
Remote Similarity | 0.669 | NPC213126 |
Remote Similarity | 0.669 | NPC252878 |
Remote Similarity | 0.6689 | NPC46098 |
Remote Similarity | 0.6689 | NPC307357 |
Remote Similarity | 0.6689 | NPC268841 |
Remote Similarity | 0.6689 | NPC238412 |
Remote Similarity | 0.6688 | NPC233702 |
Remote Similarity | 0.6667 | NPC315283 |
Remote Similarity | 0.6667 | NPC129666 |
Remote Similarity | 0.6667 | NPC68650 |
Remote Similarity | 0.6667 | NPC472102 |
Remote Similarity | 0.6667 | NPC4974 |
Remote Similarity | 0.6667 | NPC309531 |
Remote Similarity | 0.6667 | NPC314388 |
Remote Similarity | 0.6646 | NPC222029 |
Remote Similarity | 0.6645 | NPC16188 |
Remote Similarity | 0.6645 | NPC135121 |
Remote Similarity | 0.6645 | NPC329761 |
Remote Similarity | 0.6645 | NPC469427 |
Remote Similarity | 0.6645 | NPC145113 |
Remote Similarity | 0.6645 | NPC469426 |
Remote Similarity | 0.6645 | NPC225648 |
Remote Similarity | 0.6644 | NPC141050 |
Remote Similarity | 0.6644 | NPC40488 |
TTD   | |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | 6352 |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 410.18 |
ALogP   | -2.1064 |
MLogP   | 3.22 |
XLogP   | 5.636 |
HDA   | 7 |
HBD   | 3 |
Rotatable Bonds   | 12 |
TPSA   | 106.94 |
RO5 Violation   | 1 |