Drug Information

Drug ID:  NPD8998
Drug Name:  Levoglucose
Molecular Formula:  C6H12O6
Canonical SMILES:  OC[C@@H]1OC(O)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI:  "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m0/s1"
Standard InCHIKey:  WQZGKKKJIJFFOK-ZZWDRFIYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8998

Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 1.0 NPC73906
High Similarity 1.0 NPC285364
High Similarity 1.0 NPC255377
High Similarity 1.0 NPC7498
High Similarity 1.0 NPC92246
High Similarity 1.0 NPC165846
High Similarity 1.0 NPC176017
High Similarity 1.0 NPC295644
High Similarity 1.0 NPC157915
High Similarity 1.0 NPC21209
High Similarity 1.0 NPC135131
High Similarity 1.0 NPC69445
High Similarity 1.0 NPC226320
High Similarity 1.0 NPC308604
High Similarity 1.0 NPC327193
High Similarity 1.0 NPC144213
High Similarity 1.0 NPC289758
High Similarity 1.0 NPC296651
High Similarity 1.0 NPC522986
High Similarity 1.0 NPC605355
High Similarity 1.0 NPC566632
High Similarity 1.0 NPC573712
High Similarity 1.0 NPC604112
High Similarity 1.0 NPC608016
High Similarity 1.0 NPC608030
High Similarity 1.0 NPC608566
High Similarity 1.0 NPC609609
High Similarity 1.0 NPC611649
Remote Similarity 0.6957 NPC320189
Remote Similarity 0.6957 NPC299008
Remote Similarity 0.5946 NPC490427
Remote Similarity 0.5926 NPC114208
Remote Similarity 0.5926 NPC4884
Remote Similarity 0.5926 NPC321087
Remote Similarity 0.5926 NPC327710
Remote Similarity 0.5926 NPC225255
Remote Similarity 0.5926 NPC84938
Remote Similarity 0.5926 NPC172203
Remote Similarity 0.5926 NPC277475
Remote Similarity 0.5926 NPC602568
Remote Similarity 0.5926 NPC538701
Remote Similarity 0.5926 NPC592349
Remote Similarity 0.5926 NPC601074
Remote Similarity 0.5926 NPC611438
Remote Similarity 0.5926 NPC612007
Remote Similarity 0.5862 NPC329157
Remote Similarity 0.5862 NPC12692
Remote Similarity 0.5667 NPC288366
Remote Similarity 0.5161 NPC293981
Remote Similarity 0.5161 NPC324750
Remote Similarity 0.5161 NPC125353
Remote Similarity 0.5161 NPC14144
Remote Similarity 0.5161 NPC310601
Remote Similarity 0.5161 NPC291650
Remote Similarity 0.5161 NPC159863
Remote Similarity 0.5161 NPC501164
Remote Similarity 0.5161 NPC606475
Remote Similarity 0.5161 NPC593955
Remote Similarity 0.5161 NPC600826
Remote Similarity 0.5161 NPC611225
Remote Similarity 0.5128 NPC228051
Remote Similarity 0.5128 NPC322992
Remote Similarity 0.5128 NPC89145
Remote Similarity 0.5128 NPC157514
Remote Similarity 0.5128 NPC231138
Remote Similarity 0.5128 NPC304825
Remote Similarity 0.5128 NPC78924
Remote Similarity 0.5128 NPC177875
Remote Similarity 0.5128 NPC269166
Remote Similarity 0.5128 NPC21079
Remote Similarity 0.5128 NPC272820
Remote Similarity 0.5128 NPC15825
Remote Similarity 0.5128 NPC152985
Remote Similarity 0.5128 NPC298003
Remote Similarity 0.5128 NPC309327
Remote Similarity 0.5128 NPC528341
Remote Similarity 0.5128 NPC587917
Remote Similarity 0.5128 NPC610234

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   0
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  180.06
ALogP  -2.5134
MLogP  1.46
XLogP  -1.697
HDA  6
HBD  5
Rotatable Bonds  6
TPSA  110.38
RO5 Violation  0