Drug ID:   | NPD3653 |
Drug Name:   | |
Molecular Formula:   | C19H28ClNO6 |
Canonical SMILES:   | CO[C@@H]1[C@@H](CC[C@@]2([C@H]1[C@]1(C)O[C@H]1CC=C(C)C)CO2)OC(=O)N=C(CCl)O |
Standard InCHI:   | InChI=1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13+,15-,16-,18-,19+/m1/s1 |
Standard InCHIKey:   | MSHZHSPISPJWHW-HUTWWKRSSA-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 |
---|---|---|
Intermediate Similarity | 0.7961 | NPC152480 |
Remote Similarity | 0.6667 | NPC119379 |
Remote Similarity | 0.6667 | NPC140409 |
Remote Similarity | 0.6667 | NPC11491 |
Remote Similarity | 0.6667 | NPC156248 |
Remote Similarity | 0.6639 | NPC323532 |
Remote Similarity | 0.6635 | NPC298595 |
Remote Similarity | 0.6633 | NPC93213 |
Remote Similarity | 0.6613 | NPC282003 |
Remote Similarity | 0.6613 | NPC188222 |
Remote Similarity | 0.6613 | NPC310035 |
Remote Similarity | 0.661 | NPC170294 |
Remote Similarity | 0.6577 | NPC474994 |
Remote Similarity | 0.6577 | NPC476021 |
Remote Similarity | 0.6577 | NPC236176 |
Remote Similarity | 0.6577 | NPC476040 |
Remote Similarity | 0.6574 | NPC91251 |
Remote Similarity | 0.6571 | NPC214315 |
Remote Similarity | 0.656 | NPC303006 |
Remote Similarity | 0.6545 | NPC469583 |
Remote Similarity | 0.6542 | NPC161560 |
Remote Similarity | 0.6542 | NPC128066 |
Remote Similarity | 0.6509 | NPC475087 |
Remote Similarity | 0.65 | NPC89018 |
Remote Similarity | 0.6496 | NPC181994 |
Remote Similarity | 0.6496 | NPC128210 |
Remote Similarity | 0.6491 | NPC470972 |
Remote Similarity | 0.6486 | NPC472995 |
Remote Similarity | 0.6486 | NPC472996 |
Remote Similarity | 0.6486 | NPC472997 |
Remote Similarity | 0.6481 | NPC191323 |
Remote Similarity | 0.6476 | NPC290731 |
Remote Similarity | 0.646 | NPC269713 |
Remote Similarity | 0.646 | NPC271295 |
Remote Similarity | 0.646 | NPC79303 |
Remote Similarity | 0.6446 | NPC226608 |
Remote Similarity | 0.6446 | NPC88867 |
Remote Similarity | 0.6436 | NPC52755 |
Remote Similarity | 0.6429 | NPC472998 |
Remote Similarity | 0.6429 | NPC120446 |
Remote Similarity | 0.6423 | NPC476714 |
Remote Similarity | 0.641 | NPC319438 |
Remote Similarity | 0.641 | NPC216636 |
Remote Similarity | 0.6404 | NPC472554 |
Remote Similarity | 0.6393 | NPC470466 |
Remote Similarity | 0.6372 | NPC477876 |
Remote Similarity | 0.6372 | NPC477875 |
Remote Similarity | 0.6356 | NPC70235 |
Remote Similarity | 0.6355 | NPC44538 |
Remote Similarity | 0.6348 | NPC472552 |
Remote Similarity | 0.6341 | NPC296822 |
Remote Similarity | 0.6339 | NPC103165 |
Remote Similarity | 0.6339 | NPC210717 |
Remote Similarity | 0.6333 | NPC194619 |
Remote Similarity | 0.6333 | NPC470467 |
Remote Similarity | 0.6328 | NPC470973 |
Remote Similarity | 0.6325 | NPC470980 |
Remote Similarity | 0.6316 | NPC16601 |
Remote Similarity | 0.6316 | NPC272223 |
Remote Similarity | 0.6311 | NPC474739 |
Remote Similarity | 0.6306 | NPC178949 |
Remote Similarity | 0.6306 | NPC96736 |
Remote Similarity | 0.6306 | NPC161998 |
Remote Similarity | 0.6303 | NPC322912 |
Remote Similarity | 0.6299 | NPC280498 |
Remote Similarity | 0.6296 | NPC470260 |
Remote Similarity | 0.6296 | NPC75443 |
Remote Similarity | 0.6293 | NPC215988 |
Remote Similarity | 0.6293 | NPC165608 |
Remote Similarity | 0.6286 | NPC231601 |
Remote Similarity | 0.6283 | NPC473244 |
Remote Similarity | 0.6281 | NPC470468 |
Remote Similarity | 0.6262 | NPC475684 |
Remote Similarity | 0.6262 | NPC476217 |
Remote Similarity | 0.6262 | NPC255143 |
Remote Similarity | 0.6261 | NPC98225 |
Remote Similarity | 0.626 | NPC474333 |
Remote Similarity | 0.625 | NPC473594 |
Remote Similarity | 0.625 | NPC472215 |
Remote Similarity | 0.625 | NPC473975 |
Remote Similarity | 0.625 | NPC471270 |
Remote Similarity | 0.625 | NPC472214 |
Remote Similarity | 0.625 | NPC476720 |
Remote Similarity | 0.625 | NPC473843 |
Remote Similarity | 0.625 | NPC474586 |
Remote Similarity | 0.6239 | NPC246028 |
Remote Similarity | 0.6239 | NPC291875 |
Remote Similarity | 0.6239 | NPC97103 |
Remote Similarity | 0.6239 | NPC115607 |
Remote Similarity | 0.623 | NPC477266 |
Remote Similarity | 0.6228 | NPC102426 |
Remote Similarity | 0.6228 | NPC312325 |
Remote Similarity | 0.6228 | NPC300179 |
Remote Similarity | 0.6218 | NPC94377 |
Remote Similarity | 0.6212 | NPC470185 |
Remote Similarity | 0.6207 | NPC11956 |
Remote Similarity | 0.6204 | NPC189777 |
Remote Similarity | 0.6195 | NPC221801 |
Remote Similarity | 0.6195 | NPC471903 |
Remote Similarity | 0.6195 | NPC211810 |
Remote Similarity | 0.6195 | NPC471765 |
Remote Similarity | 0.6195 | NPC57664 |
Remote Similarity | 0.6195 | NPC284194 |
Remote Similarity | 0.619 | NPC259858 |
Remote Similarity | 0.6186 | NPC471206 |
Remote Similarity | 0.6186 | NPC51719 |
Remote Similarity | 0.6186 | NPC477090 |
Remote Similarity | 0.6182 | NPC471378 |
Remote Similarity | 0.6182 | NPC312471 |
Remote Similarity | 0.6179 | NPC73314 |
Remote Similarity | 0.6176 | NPC476558 |
Remote Similarity | 0.6174 | NPC254567 |
Remote Similarity | 0.6174 | NPC38855 |
Remote Similarity | 0.6174 | NPC474571 |
Remote Similarity | 0.6174 | NPC188968 |
Remote Similarity | 0.6174 | NPC274643 |
Remote Similarity | 0.6174 | NPC475877 |
Remote Similarity | 0.6168 | NPC476725 |
Remote Similarity | 0.6168 | NPC471379 |
Remote Similarity | 0.6168 | NPC196911 |
Remote Similarity | 0.6167 | NPC299590 |
Remote Similarity | 0.6167 | NPC475586 |
Remote Similarity | 0.6167 | NPC475191 |
Remote Similarity | 0.6161 | NPC140277 |
Remote Similarity | 0.6161 | NPC476716 |
Remote Similarity | 0.6154 | NPC471266 |
Remote Similarity | 0.6154 | NPC95124 |
Remote Similarity | 0.6154 | NPC474575 |
Remote Similarity | 0.6154 | NPC23584 |
Remote Similarity | 0.6154 | NPC236707 |
Remote Similarity | 0.6147 | NPC309656 |
Remote Similarity | 0.6147 | NPC476724 |
Remote Similarity | 0.6147 | NPC476723 |
Remote Similarity | 0.6147 | NPC92370 |
Remote Similarity | 0.614 | NPC261807 |
Remote Similarity | 0.614 | NPC475033 |
Remote Similarity | 0.614 | NPC475032 |
Remote Similarity | 0.614 | NPC199099 |
Remote Similarity | 0.614 | NPC205143 |
Remote Similarity | 0.6134 | NPC471205 |
Remote Similarity | 0.6132 | NPC127917 |
Remote Similarity | 0.6132 | NPC5958 |
Remote Similarity | 0.6126 | NPC312805 |
Remote Similarity | 0.6126 | NPC114389 |
Remote Similarity | 0.6126 | NPC122057 |
Remote Similarity | 0.6121 | NPC289670 |
Remote Similarity | 0.6121 | NPC235920 |
Remote Similarity | 0.6121 | NPC96784 |
Remote Similarity | 0.6121 | NPC476132 |
Remote Similarity | 0.6121 | NPC475617 |
Remote Similarity | 0.6117 | NPC477089 |
Remote Similarity | 0.6117 | NPC68119 |
Remote Similarity | 0.6117 | NPC13823 |
Remote Similarity | 0.6111 | NPC246347 |
Remote Similarity | 0.6106 | NPC292178 |
Remote Similarity | 0.6106 | NPC86893 |
Remote Similarity | 0.6106 | NPC276110 |
Remote Similarity | 0.6103 | NPC246209 |
Remote Similarity | 0.6102 | NPC194941 |
Remote Similarity | 0.6102 | NPC473543 |
Remote Similarity | 0.61 | NPC476709 |
Remote Similarity | 0.6098 | NPC472757 |
Remote Similarity | 0.6095 | NPC118116 |
Remote Similarity | 0.6087 | NPC470067 |
Remote Similarity | 0.6087 | NPC477928 |
Remote Similarity | 0.6087 | NPC470066 |
Remote Similarity | 0.6087 | NPC470068 |
Remote Similarity | 0.608 | NPC58662 |
Remote Similarity | 0.6078 | NPC170148 |
Remote Similarity | 0.6075 | NPC102048 |
Remote Similarity | 0.6075 | NPC222634 |
Remote Similarity | 0.6071 | NPC7349 |
Remote Similarity | 0.6068 | NPC109195 |
Remote Similarity | 0.6068 | NPC283567 |
Remote Similarity | 0.6068 | NPC165578 |
Remote Similarity | 0.6068 | NPC475344 |
Remote Similarity | 0.6068 | NPC475038 |
Remote Similarity | 0.6068 | NPC476471 |
Remote Similarity | 0.6068 | NPC478176 |
Remote Similarity | 0.6066 | NPC474846 |
Remote Similarity | 0.6066 | NPC469656 |
Remote Similarity | 0.6066 | NPC469655 |
Remote Similarity | 0.6055 | NPC471377 |
Remote Similarity | 0.6053 | NPC475380 |
Remote Similarity | 0.6053 | NPC194132 |
Remote Similarity | 0.6053 | NPC129569 |
Remote Similarity | 0.6053 | NPC475304 |
Remote Similarity | 0.6053 | NPC209297 |
Remote Similarity | 0.605 | NPC470979 |
Remote Similarity | 0.605 | NPC103088 |
Remote Similarity | 0.605 | NPC477877 |
Remote Similarity | 0.605 | NPC470975 |
Remote Similarity | 0.6048 | NPC472400 |
Remote Similarity | 0.6036 | NPC209816 |
Remote Similarity | 0.6036 | NPC470832 |
Remote Similarity | 0.6036 | NPC10274 |
Remote Similarity | 0.6034 | NPC324598 |
Remote Similarity | 0.6034 | NPC476195 |
Remote Similarity | 0.6033 | NPC469370 |
Remote Similarity | 0.6032 | NPC471121 |
Molecular Weight   | 401.16 |
ALogP   | 1.0854 |
MLogP   | 2.67 |
XLogP   | 2.237 |
HDA   | 7 |
HBD   | 1 |
Rotatable Bonds   | 14 |
TPSA   | 93.18 |
RO5 Violation   | 0 |