Drug ID:   | NPD7918 |
Drug Name:   | |
Molecular Formula:   | C34H63N5O9 |
Canonical SMILES:   | CC(CC([C@H](CC(=N[C@H](C(=N[C@H]([C@H](CC(=O)O)O)CC(C)C)O)C)O)O)N=C(C(C(C)C)N=C(C(C(C)C)N=C(CC(C)C)O)O)O)C |
Standard InCHI:   | InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23?,24-,25-,26-,30?,31?/m0/s1 |
Standard InCHIKey:   | FAXGPCHRFPCXOO-BOPRIZCGSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
Max Developmental Stage Source:   | TTD |
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 | NPC315535 |
High Similarity | 1.0 | NPC478017 |
High Similarity | 1.0 | NPC315131 |
High Similarity | 0.9861 | NPC316242 |
Intermediate Similarity | 0.8462 | NPC473984 |
Intermediate Similarity | 0.8072 | NPC227051 |
Intermediate Similarity | 0.7952 | NPC155670 |
Intermediate Similarity | 0.7952 | NPC95478 |
Intermediate Similarity | 0.7952 | NPC145748 |
Intermediate Similarity | 0.7949 | NPC86064 |
Intermediate Similarity | 0.7831 | NPC477730 |
Intermediate Similarity | 0.7821 | NPC43219 |
Intermediate Similarity | 0.7816 | NPC477729 |
Intermediate Similarity | 0.7662 | NPC478256 |
Intermediate Similarity | 0.7532 | NPC473985 |
Intermediate Similarity | 0.7532 | NPC475808 |
Intermediate Similarity | 0.7532 | NPC474299 |
Intermediate Similarity | 0.7532 | NPC28348 |
Intermediate Similarity | 0.7532 | NPC474298 |
Intermediate Similarity | 0.7471 | NPC477728 |
Intermediate Similarity | 0.7209 | NPC47135 |
Intermediate Similarity | 0.7111 | NPC193386 |
Intermediate Similarity | 0.7089 | NPC472579 |
Remote Similarity | 0.6988 | NPC476324 |
Remote Similarity | 0.6988 | NPC476130 |
Remote Similarity | 0.6977 | NPC314466 |
Remote Similarity | 0.6962 | NPC195165 |
Remote Similarity | 0.6962 | NPC470110 |
Remote Similarity | 0.6951 | NPC138435 |
Remote Similarity | 0.6947 | NPC134504 |
Remote Similarity | 0.6947 | NPC47076 |
Remote Similarity | 0.6892 | NPC472578 |
Remote Similarity | 0.6882 | NPC315237 |
Remote Similarity | 0.6835 | NPC470109 |
Remote Similarity | 0.6829 | NPC477643 |
Remote Similarity | 0.6829 | NPC141325 |
Remote Similarity | 0.6829 | NPC477641 |
Remote Similarity | 0.6829 | NPC320865 |
Remote Similarity | 0.679 | NPC476285 |
Remote Similarity | 0.6709 | NPC470108 |
Remote Similarity | 0.6707 | NPC477200 |
Remote Similarity | 0.6706 | NPC472594 |
Remote Similarity | 0.6667 | NPC314273 |
Remote Similarity | 0.6667 | NPC193280 |
Remote Similarity | 0.6633 | NPC220234 |
Remote Similarity | 0.6627 | NPC474403 |
Remote Similarity | 0.6602 | NPC67009 |
Remote Similarity | 0.6585 | NPC476291 |
Remote Similarity | 0.6585 | NPC477642 |
Remote Similarity | 0.6556 | NPC320936 |
Remote Similarity | 0.6538 | NPC329305 |
Remote Similarity | 0.6526 | NPC270005 |
Remote Similarity | 0.6526 | NPC208537 |
Remote Similarity | 0.65 | NPC326651 |
Remote Similarity | 0.65 | NPC322319 |
Remote Similarity | 0.65 | NPC325117 |
Remote Similarity | 0.6489 | NPC39290 |
Remote Similarity | 0.6489 | NPC159369 |
Remote Similarity | 0.6471 | NPC472595 |
Remote Similarity | 0.6444 | NPC474312 |
Remote Similarity | 0.6436 | NPC124554 |
Remote Similarity | 0.6436 | NPC301148 |
Remote Similarity | 0.6436 | NPC5864 |
Remote Similarity | 0.6429 | NPC478015 |
Remote Similarity | 0.6429 | NPC478014 |
Remote Similarity | 0.6429 | NPC478016 |
Remote Similarity | 0.6375 | NPC314103 |
Remote Similarity | 0.6373 | NPC198344 |
Remote Similarity | 0.6364 | NPC321468 |
Remote Similarity | 0.6364 | NPC327748 |
Remote Similarity | 0.6351 | NPC270041 |
Remote Similarity | 0.6329 | NPC145627 |
Remote Similarity | 0.6316 | NPC317147 |
Remote Similarity | 0.6311 | NPC124549 |
Remote Similarity | 0.6301 | NPC322946 |
Remote Similarity | 0.63 | NPC234542 |
Remote Similarity | 0.6296 | NPC476330 |
Remote Similarity | 0.6289 | NPC226513 |
Remote Similarity | 0.6286 | NPC475150 |
Remote Similarity | 0.6282 | NPC329564 |
Remote Similarity | 0.6282 | NPC470363 |
Remote Similarity | 0.6282 | NPC327170 |
Remote Similarity | 0.625 | NPC80350 |
Remote Similarity | 0.625 | NPC37681 |
Remote Similarity | 0.625 | NPC474552 |
Remote Similarity | 0.6239 | NPC50694 |
Remote Similarity | 0.6238 | NPC473224 |
Remote Similarity | 0.6226 | NPC473578 |
Remote Similarity | 0.6224 | NPC470283 |
Remote Similarity | 0.6211 | NPC322966 |
Remote Similarity | 0.618 | NPC51695 |
Remote Similarity | 0.618 | NPC253703 |
Remote Similarity | 0.618 | NPC200085 |
Remote Similarity | 0.618 | NPC314858 |
Remote Similarity | 0.6164 | NPC90904 |
Remote Similarity | 0.6163 | NPC476248 |
Remote Similarity | 0.6161 | NPC477237 |
Remote Similarity | 0.6154 | NPC53858 |
Remote Similarity | 0.6154 | NPC254541 |
Remote Similarity | 0.6154 | NPC317143 |
Remote Similarity | 0.6154 | NPC320598 |
Remote Similarity | 0.6154 | NPC84128 |
Remote Similarity | 0.6154 | NPC316826 |
Remote Similarity | 0.6154 | NPC74035 |
Remote Similarity | 0.6136 | NPC330017 |
Remote Similarity | 0.6132 | NPC171734 |
Remote Similarity | 0.6129 | NPC476523 |
Remote Similarity | 0.6129 | NPC277918 |
Remote Similarity | 0.6126 | NPC201968 |
Remote Similarity | 0.6125 | NPC327252 |
Remote Similarity | 0.6117 | NPC227622 |
Remote Similarity | 0.6111 | NPC474702 |
Remote Similarity | 0.6104 | NPC318260 |
Remote Similarity | 0.6098 | NPC474402 |
Remote Similarity | 0.6091 | NPC471645 |
Remote Similarity | 0.6076 | NPC475821 |
Remote Similarity | 0.6055 | NPC469865 |
Remote Similarity | 0.6053 | NPC477238 |
Remote Similarity | 0.6049 | NPC145658 |
Remote Similarity | 0.6047 | NPC315897 |
Remote Similarity | 0.6042 | NPC292345 |
Remote Similarity | 0.6026 | NPC189301 |
Remote Similarity | 0.6026 | NPC176164 |
Remote Similarity | 0.6022 | NPC472351 |
Remote Similarity | 0.6 | NPC137327 |
Remote Similarity | 0.6 | NPC14537 |
Remote Similarity | 0.6 | NPC477644 |
Remote Similarity | 0.5963 | NPC476875 |
Remote Similarity | 0.5952 | NPC469925 |
Remote Similarity | 0.5949 | NPC321536 |
Remote Similarity | 0.5946 | NPC329181 |
Remote Similarity | 0.5946 | NPC319110 |
Remote Similarity | 0.5943 | NPC473252 |
Remote Similarity | 0.5905 | NPC476877 |
Remote Similarity | 0.589 | NPC131770 |
Remote Similarity | 0.589 | NPC200618 |
Remote Similarity | 0.5888 | NPC137453 |
Remote Similarity | 0.5888 | NPC475800 |
Remote Similarity | 0.5882 | NPC126779 |
Remote Similarity | 0.5882 | NPC319007 |
Remote Similarity | 0.5876 | NPC470284 |
Remote Similarity | 0.5875 | NPC143722 |
Remote Similarity | 0.5875 | NPC472020 |
Remote Similarity | 0.5875 | NPC472019 |
Remote Similarity | 0.5875 | NPC226602 |
Remote Similarity | 0.5875 | NPC471129 |
Remote Similarity | 0.587 | NPC23984 |
Remote Similarity | 0.5851 | NPC323180 |
Remote Similarity | 0.5849 | NPC128303 |
Remote Similarity | 0.5849 | NPC323720 |
Remote Similarity | 0.5844 | NPC322573 |
Remote Similarity | 0.5843 | NPC228411 |
Remote Similarity | 0.5833 | NPC118524 |
Remote Similarity | 0.5833 | NPC135043 |
Remote Similarity | 0.5833 | NPC315525 |
Remote Similarity | 0.5824 | NPC469492 |
Remote Similarity | 0.5816 | NPC474593 |
Remote Similarity | 0.5816 | NPC475801 |
Remote Similarity | 0.581 | NPC72401 |
Remote Similarity | 0.581 | NPC325339 |
Remote Similarity | 0.5806 | NPC246005 |
Remote Similarity | 0.5802 | NPC472021 |
Remote Similarity | 0.5794 | NPC476876 |
Remote Similarity | 0.5794 | NPC241394 |
Remote Similarity | 0.5794 | NPC475918 |
Remote Similarity | 0.5789 | NPC263065 |
Remote Similarity | 0.5789 | NPC477199 |
Remote Similarity | 0.5789 | NPC189178 |
Remote Similarity | 0.5789 | NPC175419 |
Remote Similarity | 0.5784 | NPC473597 |
Remote Similarity | 0.5783 | NPC41429 |
Remote Similarity | 0.578 | NPC474725 |
Remote Similarity | 0.5776 | NPC160688 |
Remote Similarity | 0.5769 | NPC233932 |
Remote Similarity | 0.5765 | NPC306696 |
Remote Similarity | 0.5763 | NPC470654 |
Remote Similarity | 0.5763 | NPC470653 |
Remote Similarity | 0.5763 | NPC470650 |
Remote Similarity | 0.5761 | NPC469517 |
Remote Similarity | 0.5758 | NPC474576 |
Remote Similarity | 0.5755 | NPC474563 |
Remote Similarity | 0.5753 | NPC324004 |
Remote Similarity | 0.5753 | NPC21844 |
Remote Similarity | 0.5753 | NPC289484 |
Remote Similarity | 0.5753 | NPC319709 |
Remote Similarity | 0.5753 | NPC328497 |
Remote Similarity | 0.575 | NPC473599 |
Remote Similarity | 0.5747 | NPC170963 |
Remote Similarity | 0.5747 | NPC470268 |
Remote Similarity | 0.5747 | NPC306973 |
Remote Similarity | 0.5747 | NPC126366 |
Remote Similarity | 0.5747 | NPC114640 |
Remote Similarity | 0.5747 | NPC33267 |
Remote Similarity | 0.5747 | NPC169976 |
Remote Similarity | 0.5747 | NPC324165 |
Remote Similarity | 0.5732 | NPC469923 |
Remote Similarity | 0.5714 | NPC191774 |
Remote Similarity | 0.5714 | NPC477145 |
Remote Similarity | 0.5714 | NPC316889 |
Remote Similarity | 0.5714 | NPC473741 |
Molecular Weight   | 685.46 |
ALogP   | 1.0659 |
MLogP   | 3.66 |
XLogP   | 4.268 |
HDA   | 14 |
HBD   | 8 |
Rotatable Bonds   | 41 |
TPSA   | 240.71 |
RO5 Violation   | 3 |