Drug Information

Drug ID:  NPD2645
Drug Name:  Meropenem
Molecular Formula:  C17H25N3O5S
Canonical SMILES:  C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)C(=O)N(C)C)O
Standard InCHI:  InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
Standard InCHIKey:  DMJNNHOOLUXYBV-PQTSNVLCSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2645

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.


  Similar Natural Products

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 0.9273 NPC59249
Remote Similarity 0.6744 NPC288109
Remote Similarity 0.6639 NPC188785
Remote Similarity 0.6591 NPC470788
Remote Similarity 0.65 NPC117829
Remote Similarity 0.6475 NPC41162
Remote Similarity 0.6429 NPC471259
Remote Similarity 0.6311 NPC144780
Remote Similarity 0.6269 NPC17581
Remote Similarity 0.6269 NPC476155
Remote Similarity 0.6241 NPC473819
Remote Similarity 0.6222 NPC471261
Remote Similarity 0.619 NPC471258
Remote Similarity 0.6187 NPC309525
Remote Similarity 0.6148 NPC470300
Remote Similarity 0.609 NPC475342
Remote Similarity 0.6084 NPC120335
Remote Similarity 0.6032 NPC474985
Remote Similarity 0.6028 NPC262880
Remote Similarity 0.6028 NPC247902
Remote Similarity 0.5985 NPC469899
Remote Similarity 0.5942 NPC139867
Remote Similarity 0.5926 NPC474984
Remote Similarity 0.592 NPC471257
Remote Similarity 0.5899 NPC315188
Remote Similarity 0.5896 NPC474995
Remote Similarity 0.5893 NPC327272
Remote Similarity 0.5891 NPC471260
Remote Similarity 0.589 NPC476158
Remote Similarity 0.5887 NPC97580
Remote Similarity 0.5846 NPC64168
Remote Similarity 0.5833 NPC296143
Remote Similarity 0.5821 NPC147238
Remote Similarity 0.5821 NPC476875
Remote Similarity 0.5809 NPC272166
Remote Similarity 0.5809 NPC103391
Remote Similarity 0.5809 NPC472536
Remote Similarity 0.5769 NPC279833
Remote Similarity 0.5769 NPC173690
Remote Similarity 0.5769 NPC80439
Remote Similarity 0.5769 NPC476877
Remote Similarity 0.5769 NPC6271
Remote Similarity 0.5766 NPC296043
Remote Similarity 0.5766 NPC66007
Remote Similarity 0.5758 NPC271562
Remote Similarity 0.5743 NPC471256
Remote Similarity 0.5738 NPC322966
Remote Similarity 0.5734 NPC471263
Remote Similarity 0.5732 NPC13470
Remote Similarity 0.5725 NPC329216
Remote Similarity 0.5714 NPC276822
Remote Similarity 0.5714 NPC474099
Remote Similarity 0.5692 NPC471097
Remote Similarity 0.5692 NPC474244
Remote Similarity 0.5692 NPC475149
Remote Similarity 0.5683 NPC201889
Remote Similarity 0.5683 NPC106791
Remote Similarity 0.5682 NPC476876
Remote Similarity 0.5674 NPC160688
Remote Similarity 0.5649 NPC468984
Remote Similarity 0.5646 NPC315011
Remote Similarity 0.5645 NPC47230
Remote Similarity 0.5645 NPC17143
Remote Similarity 0.5635 NPC313265
Remote Similarity 0.5603 NPC470652
Remote Similarity 0.56 NPC173763
Remote Similarity 0.56 NPC471098
Remote Similarity 0.56 NPC62263

Drug Structure

External Identifiers

TTD   DAP000441
DrugBank   DB00760
ChEMBL   CHEMBL127
IUPHAR/BPS  
PharmaGKB   PA164764445
KEGG Drug   D02222
PubChem CID   441130
ChEBI   43968
CAS Number  119478-56-7

Drug Properties

Molecular Weight  383.15
ALogP  -2.5654
MLogP  2.34
XLogP  -0.779
HDA  8
HBD  3
Rotatable Bonds  12
TPSA  135.48
RO5 Violation  0