Drug Information

Drug ID:  NPD3159
Drug Name:  lenapenem hydrochloride hydrate
Molecular Formula:  C18H29N3O5S
Canonical SMILES:  CNCC[C@@H]([C@H]1NC[C@H](C1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)O
Standard InCHI:  InChI=1S/C18H29N3O5S/c1-8-14-13(9(2)22)17(24)21(14)15(18(25)26)16(8)27-10-6-11(20-7-10)12(23)4-5-19-3/h8-14,19-20,22-23H,4-7H2,1-3H3,(H,25,26)/t8-,9-,10+,11+,12+,13-,14-/m1/s1
Standard InCHIKey:  PZLOCBSBEUDCPF-HTOHHLTDSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3159

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 0.9358 NPC59249
Remote Similarity 0.6833 NPC188785
Remote Similarity 0.6667 NPC288109
Remote Similarity 0.6417 NPC117829
Remote Similarity 0.6403 NPC41162
Remote Similarity 0.6391 NPC470788
Remote Similarity 0.622 NPC471259
Remote Similarity 0.621 NPC474985
Remote Similarity 0.6194 NPC17581
Remote Similarity 0.6194 NPC476155
Remote Similarity 0.6148 NPC471261
Remote Similarity 0.6115 NPC309525
Remote Similarity 0.6098 NPC144780
Remote Similarity 0.609 NPC474984
Remote Similarity 0.6074 NPC470300
Remote Similarity 0.6061 NPC474995
Remote Similarity 0.6045 NPC473819
Remote Similarity 0.6026 NPC475342
Remote Similarity 0.6014 NPC120335
Remote Similarity 0.5984 NPC471258
Remote Similarity 0.5957 NPC247902
Remote Similarity 0.5957 NPC262880
Remote Similarity 0.5942 NPC315188
Remote Similarity 0.5923 NPC271562
Remote Similarity 0.5917 NPC322966
Remote Similarity 0.5891 NPC64168
Remote Similarity 0.5878 NPC474099
Remote Similarity 0.587 NPC139867
Remote Similarity 0.5865 NPC476875
Remote Similarity 0.5859 NPC474244
Remote Similarity 0.5833 NPC324506
Remote Similarity 0.5822 NPC476158
Remote Similarity 0.582 NPC17143
Remote Similarity 0.582 NPC47230
Remote Similarity 0.5816 NPC97580
Remote Similarity 0.5814 NPC80439
Remote Similarity 0.5814 NPC476877
Remote Similarity 0.5814 NPC173690
Remote Similarity 0.5814 NPC279833
Remote Similarity 0.5814 NPC6271
Remote Similarity 0.5809 NPC296043
Remote Similarity 0.5797 NPC469899
Remote Similarity 0.5766 NPC329216
Remote Similarity 0.575 NPC322672
Remote Similarity 0.5746 NPC147238
Remote Similarity 0.5735 NPC50694
Remote Similarity 0.5735 NPC103391
Remote Similarity 0.5735 NPC472536
Remote Similarity 0.5735 NPC272166
Remote Similarity 0.5725 NPC106791
Remote Similarity 0.5725 NPC201889
Remote Similarity 0.5725 NPC476876
Remote Similarity 0.5714 NPC471257
Remote Similarity 0.5714 NPC475975
Remote Similarity 0.5714 NPC160688
Remote Similarity 0.5704 NPC76660
Remote Similarity 0.5704 NPC276995
Remote Similarity 0.5704 NPC314550
Remote Similarity 0.5702 NPC473525
Remote Similarity 0.5693 NPC66007
Remote Similarity 0.5692 NPC471260
Remote Similarity 0.568 NPC313265
Remote Similarity 0.5676 NPC471256
Remote Similarity 0.5672 NPC469603
Remote Similarity 0.5669 NPC13470
Remote Similarity 0.5667 NPC319913
Remote Similarity 0.5664 NPC327272
Remote Similarity 0.5659 NPC474873
Remote Similarity 0.5652 NPC201968
Remote Similarity 0.5649 NPC469604
Remote Similarity 0.5649 NPC276822
Remote Similarity 0.5643 NPC470652
Remote Similarity 0.5639 NPC296143
Remote Similarity 0.563 NPC30911
Remote Similarity 0.563 NPC316984
Remote Similarity 0.5615 NPC471097
Remote Similarity 0.5615 NPC475149
Remote Similarity 0.5612 NPC474006

Drug Structure

External Identifiers

TTD   DIB008982
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  399.18
ALogP  -3.1337
MLogP  2.45
XLogP  -0.859
HDA  8
HBD  5
Rotatable Bonds  14
TPSA  147.43
RO5 Violation  0