Drug Information

Drug ID:  NPD388
Drug Name:  Terpin
Molecular Formula:  C10H20O2
Canonical SMILES:  CC1(O)CCC(CC1)C(O)(C)C
Standard InCHI:  InChI=1S/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3
Standard InCHIKey:  RBNWAMSGVWEHFP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD388

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 NPC77550
High Similarity 1.0 NPC108441
Intermediate Similarity 0.82 NPC102336
Intermediate Similarity 0.82 NPC36002
Intermediate Similarity 0.7857 NPC328441
Intermediate Similarity 0.7826 NPC144891
Intermediate Similarity 0.7755 NPC316035
Intermediate Similarity 0.7708 NPC223468
Intermediate Similarity 0.7708 NPC176309
Intermediate Similarity 0.7708 NPC147343
Intermediate Similarity 0.7708 NPC287550
Intermediate Similarity 0.7708 NPC84030
Intermediate Similarity 0.7708 NPC198540
Intermediate Similarity 0.7447 NPC302939
Intermediate Similarity 0.7447 NPC287331
Intermediate Similarity 0.74 NPC294858
Intermediate Similarity 0.7358 NPC202146
Intermediate Similarity 0.7358 NPC32222
Intermediate Similarity 0.7347 NPC14552
Intermediate Similarity 0.7292 NPC313795
Intermediate Similarity 0.7273 NPC135438
Intermediate Similarity 0.7273 NPC236588
Intermediate Similarity 0.7222 NPC471269
Intermediate Similarity 0.72 NPC100445
Intermediate Similarity 0.7143 NPC47663
Intermediate Similarity 0.7119 NPC94897
Intermediate Similarity 0.7091 NPC170780
Intermediate Similarity 0.7037 NPC53209
Intermediate Similarity 0.7018 NPC185116
Remote Similarity 0.6949 NPC209686
Remote Similarity 0.6949 NPC236099
Remote Similarity 0.6949 NPC249078
Remote Similarity 0.6939 NPC240994
Remote Similarity 0.6909 NPC45387
Remote Similarity 0.6889 NPC177022
Remote Similarity 0.6875 NPC82843
Remote Similarity 0.6842 NPC215671
Remote Similarity 0.6842 NPC475515
Remote Similarity 0.6842 NPC87296
Remote Similarity 0.6809 NPC469759
Remote Similarity 0.6809 NPC160261
Remote Similarity 0.6792 NPC307022
Remote Similarity 0.6786 NPC3025
Remote Similarity 0.6786 NPC39068
Remote Similarity 0.6786 NPC179024
Remote Similarity 0.6786 NPC264779
Remote Similarity 0.678 NPC95804
Remote Similarity 0.678 NPC185547
Remote Similarity 0.6774 NPC88454
Remote Similarity 0.6774 NPC253303
Remote Similarity 0.6774 NPC269077
Remote Similarity 0.6774 NPC117607
Remote Similarity 0.6774 NPC101307
Remote Similarity 0.6731 NPC127997
Remote Similarity 0.6731 NPC95969
Remote Similarity 0.6724 NPC95958
Remote Similarity 0.6667 NPC245795
Remote Similarity 0.6667 NPC119425
Remote Similarity 0.6667 NPC474756
Remote Similarity 0.661 NPC475412
Remote Similarity 0.6596 NPC221022
Remote Similarity 0.6562 NPC254037
Remote Similarity 0.6562 NPC470833
Remote Similarity 0.6562 NPC66407
Remote Similarity 0.6562 NPC129829
Remote Similarity 0.6552 NPC474769
Remote Similarity 0.6552 NPC162685
Remote Similarity 0.6552 NPC189290
Remote Similarity 0.6545 NPC161473
Remote Similarity 0.6538 NPC314087
Remote Similarity 0.65 NPC282694
Remote Similarity 0.65 NPC194208
Remote Similarity 0.65 NPC79576
Remote Similarity 0.6481 NPC274261
Remote Similarity 0.6481 NPC291724
Remote Similarity 0.6462 NPC192192
Remote Similarity 0.6452 NPC260116
Remote Similarity 0.6452 NPC19311
Remote Similarity 0.6452 NPC230047
Remote Similarity 0.6452 NPC471200
Remote Similarity 0.6452 NPC80463
Remote Similarity 0.6441 NPC475968
Remote Similarity 0.6441 NPC310228
Remote Similarity 0.6441 NPC52431
Remote Similarity 0.6406 NPC469987
Remote Similarity 0.6406 NPC266578
Remote Similarity 0.6393 NPC114891
Remote Similarity 0.6364 NPC476149
Remote Similarity 0.6364 NPC252182
Remote Similarity 0.6364 NPC181255
Remote Similarity 0.6364 NPC179169
Remote Similarity 0.6364 NPC187471
Remote Similarity 0.6364 NPC157781
Remote Similarity 0.6364 NPC244869
Remote Similarity 0.6364 NPC35519
Remote Similarity 0.6364 NPC306195
Remote Similarity 0.6364 NPC311102
Remote Similarity 0.6364 NPC300235
Remote Similarity 0.6364 NPC476136
Remote Similarity 0.6364 NPC470071
Remote Similarity 0.6364 NPC1340
Remote Similarity 0.6364 NPC127094
Remote Similarity 0.6333 NPC240506
Remote Similarity 0.6316 NPC84824
Remote Similarity 0.6316 NPC300189
Remote Similarity 0.6316 NPC67508
Remote Similarity 0.6308 NPC234511
Remote Similarity 0.6308 NPC477820
Remote Similarity 0.6296 NPC131623
Remote Similarity 0.629 NPC118937
Remote Similarity 0.629 NPC128608
Remote Similarity 0.629 NPC159654
Remote Similarity 0.629 NPC101128
Remote Similarity 0.629 NPC281540
Remote Similarity 0.629 NPC167995
Remote Similarity 0.6271 NPC476735
Remote Similarity 0.6269 NPC95165
Remote Similarity 0.6269 NPC153719
Remote Similarity 0.625 NPC41542
Remote Similarity 0.625 NPC185874
Remote Similarity 0.625 NPC139207
Remote Similarity 0.625 NPC48079
Remote Similarity 0.625 NPC476928
Remote Similarity 0.625 NPC192962
Remote Similarity 0.623 NPC71460
Remote Similarity 0.623 NPC63111
Remote Similarity 0.623 NPC148174
Remote Similarity 0.623 NPC218585
Remote Similarity 0.623 NPC475807
Remote Similarity 0.623 NPC172622
Remote Similarity 0.6222 NPC283682
Remote Similarity 0.6212 NPC283316
Remote Similarity 0.6212 NPC251201
Remote Similarity 0.6212 NPC63588
Remote Similarity 0.6212 NPC232925
Remote Similarity 0.6207 NPC24443
Remote Similarity 0.619 NPC64123
Remote Similarity 0.619 NPC190827
Remote Similarity 0.619 NPC475943
Remote Similarity 0.619 NPC300442
Remote Similarity 0.619 NPC243469
Remote Similarity 0.619 NPC472946
Remote Similarity 0.619 NPC258595
Remote Similarity 0.6182 NPC26906
Remote Similarity 0.6182 NPC214584
Remote Similarity 0.6176 NPC470151
Remote Similarity 0.6176 NPC166250
Remote Similarity 0.6176 NPC192501
Remote Similarity 0.6176 NPC228994
Remote Similarity 0.6176 NPC475458
Remote Similarity 0.6176 NPC304499
Remote Similarity 0.6176 NPC10476
Remote Similarity 0.6154 NPC473914
Remote Similarity 0.6154 NPC2648
Remote Similarity 0.6154 NPC472741
Remote Similarity 0.6154 NPC276616
Remote Similarity 0.6154 NPC244790
Remote Similarity 0.6154 NPC314679
Remote Similarity 0.6154 NPC475893
Remote Similarity 0.6129 NPC50435
Remote Similarity 0.6129 NPC292419
Remote Similarity 0.6129 NPC174956
Remote Similarity 0.6129 NPC290791
Remote Similarity 0.6111 NPC224987
Remote Similarity 0.6102 NPC291147
Remote Similarity 0.6094 NPC142712
Remote Similarity 0.6094 NPC44122
Remote Similarity 0.6094 NPC103734
Remote Similarity 0.6087 NPC472952
Remote Similarity 0.6087 NPC472950
Remote Similarity 0.6087 NPC158208
Remote Similarity 0.6087 NPC91387
Remote Similarity 0.6087 NPC186851
Remote Similarity 0.6087 NPC231680
Remote Similarity 0.6087 NPC270306
Remote Similarity 0.6087 NPC317242
Remote Similarity 0.6087 NPC243027
Remote Similarity 0.6087 NPC196136
Remote Similarity 0.6078 NPC15162
Remote Similarity 0.6071 NPC71506
Remote Similarity 0.6071 NPC177112
Remote Similarity 0.6066 NPC66020
Remote Similarity 0.6061 NPC210323
Remote Similarity 0.6061 NPC107919
Remote Similarity 0.6061 NPC299948
Remote Similarity 0.6061 NPC470830
Remote Similarity 0.6061 NPC241085
Remote Similarity 0.6034 NPC283655
Remote Similarity 0.6034 NPC178223
Remote Similarity 0.6034 NPC166894
Remote Similarity 0.6034 NPC89069
Remote Similarity 0.6034 NPC277917
Remote Similarity 0.6032 NPC199937
Remote Similarity 0.6032 NPC69149
Remote Similarity 0.6032 NPC68656
Remote Similarity 0.6032 NPC476702
Remote Similarity 0.6032 NPC219940
Remote Similarity 0.6032 NPC144650
Remote Similarity 0.6029 NPC470610
Remote Similarity 0.6 NPC204233

Drug Structure

External Identifiers

TTD   DIB016640
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  172.15
ALogP  0.5444
MLogP  2.34
XLogP  1.577
HDA  2
HBD  2
Rotatable Bonds  6
TPSA  40.46
RO5 Violation  0