Natural Product: NPC473599

Natural Product ID:  NPC473599
Common Name:   3-Hydroxy-N-[(3S)-2-Oxooxolan-3-Yl]Butanamide
IUPAC Name:   3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide
Synonyms:  
Molecular Formula:   C8H13NO4
Standard InCHIKey:  FIXDIFPJOFIIEC-GDVGLLTNSA-N
Standard InCHI:  InChI=1S/C8H13NO4/c1-5(10)4-7(11)9-6-2-3-13-8(6)12/h5-6,10H,2-4H2,1H3,(H,9,11)/t5?,6-/m0/s1
Canonical SMILES:  CC(CC(=N[C@H]1CCOC1=O)O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO32854 vibrio angustum s14 Species Vibrionaceae Bacteria PMID[11325243]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1726 Organism Vibrio harveyi Vibrio harveyi FC = 128 12617583

  Similar Natural Products in NPASS

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

●  The left chart: Distribution of similarity level between NPC473599 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.8361 Intermediate Similarity NPC145658
0.8033 Intermediate Similarity NPC477644
0.7612 Intermediate Similarity NPC477642
0.7391 Intermediate Similarity NPC477643
0.7391 Intermediate Similarity NPC477641
0.7391 Intermediate Similarity NPC320865
0.7206 Intermediate Similarity NPC474299
0.7206 Intermediate Similarity NPC28348
0.7206 Intermediate Similarity NPC474298
0.7206 Intermediate Similarity NPC475808
0.7206 Intermediate Similarity NPC473985
0.7193 Intermediate Similarity NPC227850
0.7101 Intermediate Similarity NPC476285
0.7101 Intermediate Similarity NPC476291
0.7101 Intermediate Similarity NPC478256
0.6957 Remote Similarity NPC314273
0.6957 Remote Similarity NPC193280
0.6774 Remote Similarity NPC327831
0.6721 Remote Similarity NPC329495
0.6719 Remote Similarity NPC328447
0.6667 Remote Similarity NPC141325
0.6622 Remote Similarity NPC476130
0.6622 Remote Similarity NPC476324
0.6575 Remote Similarity NPC476248
0.6575 Remote Similarity NPC138435
0.6575 Remote Similarity NPC43219
0.65 Remote Similarity NPC270805
0.65 Remote Similarity NPC93888
0.6486 Remote Similarity NPC86064
0.6486 Remote Similarity NPC472595
0.6375 Remote Similarity NPC95478
0.6375 Remote Similarity NPC155670
0.6375 Remote Similarity NPC145748
0.6349 Remote Similarity NPC316889
0.6349 Remote Similarity NPC321118
0.6341 Remote Similarity NPC477728
0.6333 Remote Similarity NPC153370
0.6324 Remote Similarity NPC327252
0.6316 Remote Similarity NPC472594
0.6296 Remote Similarity NPC227051
0.629 Remote Similarity NPC322946
0.6271 Remote Similarity NPC297220
0.625 Remote Similarity NPC322573
0.623 Remote Similarity NPC328378
0.619 Remote Similarity NPC189178
0.619 Remote Similarity NPC263065
0.6154 Remote Similarity NPC313263
0.6143 Remote Similarity NPC160661
0.6129 Remote Similarity NPC327239
0.6118 Remote Similarity NPC477729
0.6071 Remote Similarity NPC327250
0.6056 Remote Similarity NPC470108
0.6049 Remote Similarity NPC474312
0.6049 Remote Similarity NPC477730
0.6032 Remote Similarity NPC19576
0.6032 Remote Similarity NPC29950
0.6029 Remote Similarity NPC471129
0.6 Remote Similarity NPC248970
0.6 Remote Similarity NPC314466
0.6 Remote Similarity NPC474403
0.6 Remote Similarity NPC306238
0.5972 Remote Similarity NPC470109
0.5972 Remote Similarity NPC118524
0.597 Remote Similarity NPC112224
0.597 Remote Similarity NPC93861
0.597 Remote Similarity NPC190385
0.597 Remote Similarity NPC327895
0.597 Remote Similarity NPC43169
0.5938 Remote Similarity NPC35816
0.5938 Remote Similarity NPC325180
0.593 Remote Similarity NPC474593
0.593 Remote Similarity NPC475801
0.5926 Remote Similarity NPC246005
0.5909 Remote Similarity NPC325985
0.5909 Remote Similarity NPC38463
0.5902 Remote Similarity NPC136159
0.5902 Remote Similarity NPC181588
0.589 Remote Similarity NPC470110
0.5882 Remote Similarity NPC317143
0.5882 Remote Similarity NPC321468
0.5882 Remote Similarity NPC321536
0.5882 Remote Similarity NPC327748
0.5882 Remote Similarity NPC316826
0.5882 Remote Similarity NPC254541
0.5873 Remote Similarity NPC295832
0.5873 Remote Similarity NPC27359
0.5873 Remote Similarity NPC198398
0.5873 Remote Similarity NPC326283
0.5873 Remote Similarity NPC321394
0.5862 Remote Similarity NPC474576
0.5823 Remote Similarity NPC316242
0.5821 Remote Similarity NPC318260
0.5821 Remote Similarity NPC317147
0.5814 Remote Similarity NPC292345
0.5811 Remote Similarity NPC472579
0.5797 Remote Similarity NPC329564
0.5797 Remote Similarity NPC321419
0.5797 Remote Similarity NPC327170
0.5797 Remote Similarity NPC143722
0.5795 Remote Similarity NPC208537
0.5795 Remote Similarity NPC62263
0.5795 Remote Similarity NPC471098
0.5795 Remote Similarity NPC270005
0.5795 Remote Similarity NPC173763
0.5789 Remote Similarity NPC55274
0.5775 Remote Similarity NPC57420
0.5761 Remote Similarity NPC475440
0.5753 Remote Similarity NPC221764
0.5753 Remote Similarity NPC196359
0.5753 Remote Similarity NPC135539
0.5753 Remote Similarity NPC78312
0.575 Remote Similarity NPC315131
0.575 Remote Similarity NPC478017
0.575 Remote Similarity NPC473984
0.575 Remote Similarity NPC315535
0.5735 Remote Similarity NPC176164
0.5735 Remote Similarity NPC189301
0.5733 Remote Similarity NPC223174
0.5733 Remote Similarity NPC327753
0.5733 Remote Similarity NPC327486
0.5714 Remote Similarity NPC126186
0.5694 Remote Similarity NPC472609
0.569 Remote Similarity NPC326992
0.569 Remote Similarity NPC121517
0.569 Remote Similarity NPC168375
0.5667 Remote Similarity NPC43264
0.5652 Remote Similarity NPC320598
0.5634 Remote Similarity NPC145627
0.5625 Remote Similarity NPC329181
0.5625 Remote Similarity NPC319110
0.5625 Remote Similarity NPC37681
0.561 Remote Similarity NPC475542
0.5606 Remote Similarity NPC60672
0.5606 Remote Similarity NPC270041
0.5606 Remote Similarity NPC322091
0.56 Remote Similarity NPC474812

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC473599 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.9074 High Similarity NPD9419 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD2256 Clinical (unspecified phase)
0.6719 Remote Similarity NPD9661 Approved
0.6622 Remote Similarity NPD1453 Phase 1
0.65 Remote Similarity NPD8624 Approved
0.6471 Remote Similarity NPD364 Discontinued
0.6429 Remote Similarity NPD2263 Discontinued
0.6418 Remote Similarity NPD574 Approved
0.6406 Remote Similarity NPD9659 Approved
0.6333 Remote Similarity NPD8614 Approved
0.6324 Remote Similarity NPD575 Clinical (unspecified phase)
0.6316 Remote Similarity NPD2689 Clinical (unspecified phase)
0.629 Remote Similarity NPD9441 Phase 2
0.625 Remote Similarity NPD1815 Discontinued
0.625 Remote Similarity NPD3724 Clinical (unspecified phase)
0.6234 Remote Similarity NPD3160 Suspended
0.6212 Remote Similarity NPD9433 Approved
0.619 Remote Similarity NPD9205 Approved
0.619 Remote Similarity NPD9204 Approved
0.6129 Remote Similarity NPD329 Discontinued
0.6081 Remote Similarity NPD9446 Approved
0.6032 Remote Similarity NPD61 Approved
0.6032 Remote Similarity NPD8846 Approved
0.6032 Remote Similarity NPD8847 Approved
0.6 Remote Similarity NPD1151 Approved
0.6 Remote Similarity NPD8870 Approved
0.5972 Remote Similarity NPD1429 Clinical (unspecified phase)
0.597 Remote Similarity NPD9023 Clinical (unspecified phase)
0.5938 Remote Similarity NPD9386 Approved
0.5938 Remote Similarity NPD9660 Approved
0.5926 Remote Similarity NPD1448 Clinical (unspecified phase)
0.5902 Remote Similarity NPD8810 Clinical (unspecified phase)
0.5902 Remote Similarity NPD1458 Approved
0.5902 Remote Similarity NPD1459 Approved
0.5873 Remote Similarity NPD9225 Phase 3
0.5873 Remote Similarity NPD9678 Approved
0.5873 Remote Similarity NPD9677 Phase 3
0.5873 Remote Similarity NPD9226 Approved
0.5843 Remote Similarity NPD8394 Approved
0.5833 Remote Similarity NPD9658 Clinical (unspecified phase)
0.5814 Remote Similarity NPD618 Clinical (unspecified phase)
0.5806 Remote Similarity NPD9213 Approved
0.5806 Remote Similarity NPD9214 Phase 3
0.5753 Remote Similarity NPD8868 Approved
0.575 Remote Similarity NPD7917 Clinical (unspecified phase)
0.575 Remote Similarity NPD7918 Clinical (unspecified phase)
0.5747 Remote Similarity NPD3716 Discontinued
0.5733 Remote Similarity NPD9445 Approved
0.5714 Remote Similarity NPD3193 Approved
0.5714 Remote Similarity NPD3192 Approved
0.5692 Remote Similarity NPD9420 Clinical (unspecified phase)
0.5667 Remote Similarity NPD8869 Approved
0.5663 Remote Similarity NPD883 Phase 2
0.5663 Remote Similarity NPD882 Phase 2
0.5616 Remote Similarity NPD9442 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10330086
ChEMBL   CHEMBL446873
ZINC  

Physicochemical Properties

Molecular Weight:  187.08
ALogP:  -1.0308
MLogP:  1.79
XLogP:  -0.575
# Rotatable Bonds:  6
Polar Surface Area:  79.12
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  13

Download Data

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Structure MOL file  
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Similar NPs/Drugs