Drug Information

Drug ID:  NPD3184
Drug Name:  Clindamycin
Molecular Formula:  C18H33ClN2O5S
Canonical SMILES:  CCC[C@H]1CN([C@@H](C1)C(=NC([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)O)C(Cl)C)O)C
Standard InCHI:  InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1
Standard InCHIKey:  KDLRVYVGXIQJDK-NOWPCOIGSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD3184

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 1.0 NPC314387
High Similarity 0.9062 NPC313821
Remote Similarity 0.6296 NPC470284
Remote Similarity 0.6186 NPC475637
Remote Similarity 0.6186 NPC475127
Remote Similarity 0.6186 NPC473419
Remote Similarity 0.6186 NPC475715
Remote Similarity 0.6126 NPC208537
Remote Similarity 0.6126 NPC270005
Remote Similarity 0.6107 NPC470651
Remote Similarity 0.6107 NPC470655
Remote Similarity 0.6105 NPC233034
Remote Similarity 0.6082 NPC74555
Remote Similarity 0.6082 NPC306763
Remote Similarity 0.6082 NPC266242
Remote Similarity 0.6082 NPC254617
Remote Similarity 0.6082 NPC126664
Remote Similarity 0.6082 NPC195165
Remote Similarity 0.6082 NPC34291
Remote Similarity 0.6082 NPC474469
Remote Similarity 0.6075 NPC476523
Remote Similarity 0.6061 NPC477200
Remote Similarity 0.6053 NPC473597
Remote Similarity 0.6047 NPC50520
Remote Similarity 0.6018 NPC470283
Remote Similarity 0.5979 NPC184150
Remote Similarity 0.5979 NPC59221
Remote Similarity 0.5979 NPC141156
Remote Similarity 0.596 NPC115800
Remote Similarity 0.596 NPC163538
Remote Similarity 0.5918 NPC171850
Remote Similarity 0.5909 NPC52533
Remote Similarity 0.5888 NPC93630
Remote Similarity 0.5876 NPC294883
Remote Similarity 0.5876 NPC12514
Remote Similarity 0.5794 NPC288415
Remote Similarity 0.5794 NPC45906
Remote Similarity 0.5794 NPC81006
Remote Similarity 0.5794 NPC149908
Remote Similarity 0.5794 NPC31313
Remote Similarity 0.5776 NPC47076
Remote Similarity 0.5776 NPC134504
Remote Similarity 0.5755 NPC90839
Remote Similarity 0.5729 NPC145627
Remote Similarity 0.5714 NPC471202
Remote Similarity 0.5714 NPC325902
Remote Similarity 0.5714 NPC63191
Remote Similarity 0.5701 NPC471420
Remote Similarity 0.5686 NPC474468
Remote Similarity 0.5678 NPC220234
Remote Similarity 0.5676 NPC306838
Remote Similarity 0.567 NPC163134
Remote Similarity 0.567 NPC471419
Remote Similarity 0.566 NPC316807
Remote Similarity 0.5656 NPC471844
Remote Similarity 0.5644 NPC327753
Remote Similarity 0.5644 NPC327486
Remote Similarity 0.5644 NPC223174
Remote Similarity 0.5644 NPC473710
Remote Similarity 0.5644 NPC475694
Remote Similarity 0.5635 NPC478024
Remote Similarity 0.5631 NPC43219
Remote Similarity 0.5625 NPC470282
Remote Similarity 0.5619 NPC329077
Remote Similarity 0.561 NPC59589

Drug Structure

External Identifiers

TTD   DAP000409
DrugBank   DB01190
ChEMBL   CHEMBL1753
IUPHAR/BPS  
PharmaGKB   PA449035
KEGG Drug   D00277
PubChem CID  
ChEBI   3745
CAS Number  18323-44-9

Drug Properties

Molecular Weight  424.18
ALogP  -0.472
MLogP  2.45
XLogP  2.056
HDA  7
HBD  4
Rotatable Bonds  16
TPSA  131.05
RO5 Violation  0