Drug ID:   | NPD8427 |
Drug Name:   | Vinorelbin Ditartrate |
Molecular Formula:   | C45H54N4O8.2C4H6O6 |
Canonical SMILES:   | OC(C(C(=O)O)O)C(=O)O.OC(C(C(=O)O)O)C(=O)O.CCC1=C[C@@H]2CN(C1)Cc1c3ccccc3[nH]c1[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N([C@@H]1[C@@]32CCN2[C@H]3[C@@](CC)(C=CC2)[C@H]([C@]1(O)C(=O)OC)OC(=O)C)C |
Standard InCHI:   | InChI=1S/C45H54N4O8.2C4H6O6/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7;2*5-1(3(7)8)2(6)4(9)10/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3;2*1-2,5-6H,(H,7,8)(H,9,10)/t28-,37-,38+,39+,42+,43+,44-,45-;;/m0../s1 |
Standard InCHIKey:   | CILBMBUYJCWATM-UDRBCWGGSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
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 | 0.9592 | NPC237901 |
High Similarity | 0.9592 | NPC195788 |
High Similarity | 0.9438 | NPC260909 |
Intermediate Similarity | 0.8314 | NPC471303 |
Intermediate Similarity | 0.8095 | NPC475666 |
Intermediate Similarity | 0.8056 | NPC81939 |
Intermediate Similarity | 0.8016 | NPC478080 |
Intermediate Similarity | 0.7977 | NPC329982 |
Intermediate Similarity | 0.7899 | NPC133609 |
Intermediate Similarity | 0.7868 | NPC189079 |
Intermediate Similarity | 0.7854 | NPC284685 |
Intermediate Similarity | 0.7833 | NPC127996 |
Intermediate Similarity | 0.7812 | NPC469734 |
Intermediate Similarity | 0.7787 | NPC470785 |
Intermediate Similarity | 0.7774 | NPC100734 |
Intermediate Similarity | 0.7774 | NPC315634 |
Intermediate Similarity | 0.7774 | NPC88923 |
Intermediate Similarity | 0.7747 | NPC184680 |
Intermediate Similarity | 0.7717 | NPC470784 |
Intermediate Similarity | 0.7713 | NPC17437 |
Intermediate Similarity | 0.7695 | NPC473540 |
Intermediate Similarity | 0.7673 | NPC473041 |
Intermediate Similarity | 0.7656 | NPC477066 |
Intermediate Similarity | 0.7652 | NPC477532 |
Intermediate Similarity | 0.7647 | NPC131486 |
Intermediate Similarity | 0.7638 | NPC473187 |
Intermediate Similarity | 0.7628 | NPC473105 |
Intermediate Similarity | 0.7626 | NPC478081 |
Intermediate Similarity | 0.7623 | NPC191489 |
Intermediate Similarity | 0.7611 | NPC477533 |
Intermediate Similarity | 0.7589 | NPC475720 |
Intermediate Similarity | 0.7589 | NPC474192 |
Intermediate Similarity | 0.7558 | NPC478082 |
Intermediate Similarity | 0.7558 | NPC477067 |
Intermediate Similarity | 0.7556 | NPC89549 |
Intermediate Similarity | 0.7549 | NPC475253 |
Intermediate Similarity | 0.7549 | NPC477531 |
Intermediate Similarity | 0.754 | NPC174760 |
Intermediate Similarity | 0.753 | NPC303658 |
Intermediate Similarity | 0.753 | NPC96321 |
Intermediate Similarity | 0.7519 | NPC475844 |
Intermediate Similarity | 0.751 | NPC474183 |
Intermediate Similarity | 0.751 | NPC209174 |
Intermediate Similarity | 0.7509 | NPC478083 |
Intermediate Similarity | 0.749 | NPC473188 |
Intermediate Similarity | 0.749 | NPC169402 |
Intermediate Similarity | 0.7481 | NPC475816 |
Intermediate Similarity | 0.7471 | NPC473183 |
Intermediate Similarity | 0.747 | NPC252251 |
Intermediate Similarity | 0.7461 | NPC277351 |
Intermediate Similarity | 0.7449 | NPC330009 |
Intermediate Similarity | 0.744 | NPC198503 |
Intermediate Similarity | 0.7434 | NPC244543 |
Intermediate Similarity | 0.7431 | NPC473185 |
Intermediate Similarity | 0.7409 | NPC116238 |
Intermediate Similarity | 0.7403 | NPC6786 |
Intermediate Similarity | 0.7402 | NPC194740 |
Intermediate Similarity | 0.74 | NPC150239 |
Intermediate Similarity | 0.7393 | NPC473184 |
Intermediate Similarity | 0.7379 | NPC148183 |
Intermediate Similarity | 0.7379 | NPC152768 |
Intermediate Similarity | 0.7358 | NPC87413 |
Intermediate Similarity | 0.7356 | NPC469722 |
Intermediate Similarity | 0.7352 | NPC21638 |
Intermediate Similarity | 0.7333 | NPC311906 |
Intermediate Similarity | 0.7331 | NPC128115 |
Intermediate Similarity | 0.7326 | NPC39370 |
Intermediate Similarity | 0.732 | NPC46561 |
Intermediate Similarity | 0.732 | NPC469594 |
Intermediate Similarity | 0.732 | NPC247803 |
Intermediate Similarity | 0.7309 | NPC469928 |
Intermediate Similarity | 0.7309 | NPC3207 |
Intermediate Similarity | 0.7298 | NPC471080 |
Intermediate Similarity | 0.7298 | NPC469592 |
Intermediate Similarity | 0.7295 | NPC476106 |
Intermediate Similarity | 0.7291 | NPC222046 |
Intermediate Similarity | 0.7291 | NPC288110 |
Intermediate Similarity | 0.7291 | NPC473179 |
Intermediate Similarity | 0.7266 | NPC274640 |
Intermediate Similarity | 0.7265 | NPC4687 |
Intermediate Similarity | 0.7258 | NPC475778 |
Intermediate Similarity | 0.7258 | NPC308137 |
Intermediate Similarity | 0.7258 | NPC310211 |
Intermediate Similarity | 0.7248 | NPC473186 |
Intermediate Similarity | 0.7247 | NPC234999 |
Intermediate Similarity | 0.7233 | NPC280799 |
Intermediate Similarity | 0.7227 | NPC473458 |
Intermediate Similarity | 0.722 | NPC323752 |
Intermediate Similarity | 0.722 | NPC323198 |
Intermediate Similarity | 0.722 | NPC473182 |
Intermediate Similarity | 0.7216 | NPC179287 |
Intermediate Similarity | 0.7213 | NPC162484 |
Intermediate Similarity | 0.7209 | NPC474688 |
Intermediate Similarity | 0.7206 | NPC469743 |
Intermediate Similarity | 0.72 | NPC478010 |
Intermediate Similarity | 0.72 | NPC478009 |
Intermediate Similarity | 0.7196 | NPC478006 |
Intermediate Similarity | 0.7194 | NPC132642 |
Intermediate Similarity | 0.7185 | NPC472589 |
Intermediate Similarity | 0.7183 | NPC184408 |
Intermediate Similarity | 0.7177 | NPC471304 |
Intermediate Similarity | 0.7176 | NPC82472 |
Intermediate Similarity | 0.7175 | NPC472588 |
Intermediate Similarity | 0.7172 | NPC475112 |
Intermediate Similarity | 0.7172 | NPC475085 |
Intermediate Similarity | 0.7172 | NPC291535 |
Intermediate Similarity | 0.7171 | NPC74969 |
Intermediate Similarity | 0.7171 | NPC183407 |
Intermediate Similarity | 0.7166 | NPC39679 |
Intermediate Similarity | 0.7164 | NPC315467 |
Intermediate Similarity | 0.7164 | NPC14812 |
Intermediate Similarity | 0.7154 | NPC208084 |
Intermediate Similarity | 0.7149 | NPC72211 |
Intermediate Similarity | 0.7143 | NPC14288 |
Intermediate Similarity | 0.7143 | NPC305984 |
Intermediate Similarity | 0.7137 | NPC201697 |
Intermediate Similarity | 0.7137 | NPC144452 |
Intermediate Similarity | 0.7137 | NPC162748 |
Intermediate Similarity | 0.7126 | NPC249583 |
Intermediate Similarity | 0.7121 | NPC24370 |
Intermediate Similarity | 0.7121 | NPC319232 |
Intermediate Similarity | 0.7121 | NPC202503 |
Intermediate Similarity | 0.712 | NPC48353 |
Intermediate Similarity | 0.7111 | NPC314882 |
Intermediate Similarity | 0.711 | NPC151171 |
Intermediate Similarity | 0.7107 | NPC243834 |
Intermediate Similarity | 0.7107 | NPC70956 |
Intermediate Similarity | 0.7104 | NPC95240 |
Intermediate Similarity | 0.7104 | NPC322135 |
Intermediate Similarity | 0.7101 | NPC471979 |
Intermediate Similarity | 0.7097 | NPC475910 |
Intermediate Similarity | 0.7093 | NPC124920 |
Intermediate Similarity | 0.7093 | NPC34580 |
Intermediate Similarity | 0.7093 | NPC118559 |
Intermediate Similarity | 0.7093 | NPC304307 |
Intermediate Similarity | 0.7093 | NPC471513 |
Intermediate Similarity | 0.7092 | NPC45048 |
Intermediate Similarity | 0.7092 | NPC39500 |
Intermediate Similarity | 0.709 | NPC214428 |
Intermediate Similarity | 0.7085 | NPC300156 |
Intermediate Similarity | 0.7085 | NPC277350 |
Intermediate Similarity | 0.7082 | NPC115588 |
Intermediate Similarity | 0.708 | NPC23294 |
Intermediate Similarity | 0.7078 | NPC306376 |
Intermediate Similarity | 0.7077 | NPC474701 |
Intermediate Similarity | 0.7066 | NPC100547 |
Intermediate Similarity | 0.7066 | NPC70259 |
Intermediate Similarity | 0.7061 | NPC267423 |
Intermediate Similarity | 0.7061 | NPC325976 |
Intermediate Similarity | 0.7057 | NPC279589 |
Intermediate Similarity | 0.7056 | NPC193777 |
Intermediate Similarity | 0.7055 | NPC207620 |
Intermediate Similarity | 0.7054 | NPC79107 |
Intermediate Similarity | 0.7054 | NPC475424 |
Intermediate Similarity | 0.7052 | NPC472098 |
Intermediate Similarity | 0.7052 | NPC94157 |
Intermediate Similarity | 0.705 | NPC321592 |
Intermediate Similarity | 0.705 | NPC54803 |
Intermediate Similarity | 0.7049 | NPC241024 |
Intermediate Similarity | 0.7045 | NPC473565 |
Intermediate Similarity | 0.7043 | NPC51388 |
Intermediate Similarity | 0.7041 | NPC78609 |
Intermediate Similarity | 0.7041 | NPC477393 |
Intermediate Similarity | 0.704 | NPC303951 |
Intermediate Similarity | 0.7038 | NPC223409 |
Intermediate Similarity | 0.7031 | NPC169716 |
Intermediate Similarity | 0.7031 | NPC60621 |
Intermediate Similarity | 0.7027 | NPC261251 |
Intermediate Similarity | 0.7025 | NPC131017 |
Intermediate Similarity | 0.7025 | NPC43787 |
Intermediate Similarity | 0.7025 | NPC205934 |
Intermediate Similarity | 0.7023 | NPC284888 |
Intermediate Similarity | 0.7022 | NPC303374 |
Intermediate Similarity | 0.702 | NPC329747 |
Intermediate Similarity | 0.7008 | NPC15801 |
Intermediate Similarity | 0.7 | NPC469589 |
Intermediate Similarity | 0.7 | NPC209769 |
Remote Similarity | 0.6996 | NPC118228 |
Remote Similarity | 0.6993 | NPC471978 |
Remote Similarity | 0.6992 | NPC472099 |
Remote Similarity | 0.6989 | NPC477396 |
Remote Similarity | 0.6988 | NPC214142 |
Remote Similarity | 0.6984 | NPC119722 |
Remote Similarity | 0.6981 | NPC41679 |
Remote Similarity | 0.6976 | NPC470930 |
Remote Similarity | 0.6974 | NPC181081 |
Remote Similarity | 0.6973 | NPC473806 |
Remote Similarity | 0.6973 | NPC471634 |
Remote Similarity | 0.6973 | NPC326363 |
Remote Similarity | 0.6969 | NPC170114 |
Remote Similarity | 0.6968 | NPC132385 |
Remote Similarity | 0.6966 | NPC469452 |
Remote Similarity | 0.6966 | NPC477395 |
Remote Similarity | 0.6964 | NPC162730 |
Remote Similarity | 0.696 | NPC86834 |
Remote Similarity | 0.696 | NPC210828 |
Remote Similarity | 0.6957 | NPC478074 |
Remote Similarity | 0.6955 | NPC469450 |
Remote Similarity | 0.695 | NPC478012 |
Remote Similarity | 0.695 | NPC478011 |
Molecular Weight   | 778.39 |
ALogP   | -0.7124 |
MLogP   | 5.09 |
XLogP   | 3.903 |
HDA   | 11 |
HBD   | 2 |
Rotatable Bonds   | 18 |
TPSA   | 133.87 |
RO5 Violation   | 1 |