Drug Information

Drug ID:  NPD179
Drug Name:  
Molecular Formula:  C10H11NO
Canonical SMILES:  Cc1cccc2c1CCN=C2O
Standard InCHI:  InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)
Standard InCHIKey:  RLLZPXDJYADIEU-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD179

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
Intermediate Similarity 0.8438 NPC198747
Intermediate Similarity 0.8269 NPC318154
Intermediate Similarity 0.8058 NPC33168
Intermediate Similarity 0.8037 NPC211551
Intermediate Similarity 0.802 NPC265521
Intermediate Similarity 0.7818 NPC153690
Intermediate Similarity 0.7788 NPC3371
Intermediate Similarity 0.7745 NPC226438
Intermediate Similarity 0.7692 NPC303045
Intermediate Similarity 0.7692 NPC161972
Intermediate Similarity 0.7653 NPC146703
Intermediate Similarity 0.7565 NPC118202
Intermediate Similarity 0.7563 NPC273830
Intermediate Similarity 0.7549 NPC199567
Intermediate Similarity 0.7549 NPC470877
Intermediate Similarity 0.7523 NPC178902
Intermediate Similarity 0.7522 NPC474149
Intermediate Similarity 0.75 NPC109151
Intermediate Similarity 0.7477 NPC231705
Intermediate Similarity 0.7476 NPC316108
Intermediate Similarity 0.7476 NPC471307
Intermediate Similarity 0.7476 NPC121872
Intermediate Similarity 0.7476 NPC141139
Intermediate Similarity 0.7476 NPC78041
Intermediate Similarity 0.7476 NPC74936
Intermediate Similarity 0.7476 NPC209764
Intermediate Similarity 0.7476 NPC159178
Intermediate Similarity 0.7476 NPC172128
Intermediate Similarity 0.7475 NPC172984
Intermediate Similarity 0.7449 NPC133050
Intermediate Similarity 0.7434 NPC258056
Intermediate Similarity 0.7426 NPC203076
Intermediate Similarity 0.7411 NPC142297
Intermediate Similarity 0.7383 NPC311242
Intermediate Similarity 0.7358 NPC20142
Intermediate Similarity 0.7358 NPC215351
Intermediate Similarity 0.7358 NPC58674
Intermediate Similarity 0.7353 NPC473031
Intermediate Similarity 0.7345 NPC24101
Intermediate Similarity 0.7345 NPC96224
Intermediate Similarity 0.7339 NPC228400
Intermediate Similarity 0.7339 NPC469457
Intermediate Similarity 0.7339 NPC214200
Intermediate Similarity 0.7333 NPC128645
Intermediate Similarity 0.7328 NPC1986
Intermediate Similarity 0.7328 NPC474544
Intermediate Similarity 0.7315 NPC108606
Intermediate Similarity 0.7315 NPC226096
Intermediate Similarity 0.7315 NPC164514
Intermediate Similarity 0.7315 NPC303611
Intermediate Similarity 0.7315 NPC290515
Intermediate Similarity 0.7288 NPC82963
Intermediate Similarity 0.7273 NPC327226
Intermediate Similarity 0.7264 NPC471309
Intermediate Similarity 0.725 NPC43275
Intermediate Similarity 0.7228 NPC168855
Intermediate Similarity 0.7227 NPC311737
Intermediate Similarity 0.7227 NPC38458
Intermediate Similarity 0.72 NPC14326
Intermediate Similarity 0.7184 NPC471638
Intermediate Similarity 0.7182 NPC155847
Intermediate Similarity 0.7182 NPC289381
Intermediate Similarity 0.7172 NPC192623
Intermediate Similarity 0.7157 NPC474354
Intermediate Similarity 0.7143 NPC258627
Intermediate Similarity 0.7143 NPC147000
Intermediate Similarity 0.7143 NPC226778
Intermediate Similarity 0.7143 NPC304761
Intermediate Similarity 0.7143 NPC150254
Intermediate Similarity 0.713 NPC25565
Intermediate Similarity 0.7119 NPC142599
Intermediate Similarity 0.7115 NPC12429
Intermediate Similarity 0.7087 NPC474211
Intermediate Similarity 0.7087 NPC93843
Intermediate Similarity 0.7064 NPC475439
Intermediate Similarity 0.7064 NPC473501
Intermediate Similarity 0.7059 NPC317254
Intermediate Similarity 0.7059 NPC304538
Intermediate Similarity 0.7054 NPC68055
Intermediate Similarity 0.703 NPC87299
Intermediate Similarity 0.703 NPC329319
Intermediate Similarity 0.703 NPC99394
Intermediate Similarity 0.703 NPC103326
Intermediate Similarity 0.7018 NPC191215
Intermediate Similarity 0.7018 NPC274089
Intermediate Similarity 0.7009 NPC314690
Intermediate Similarity 0.7 NPC328178
Remote Similarity 0.6992 NPC284078
Remote Similarity 0.699 NPC3210
Remote Similarity 0.6983 NPC65855
Remote Similarity 0.6983 NPC292758
Remote Similarity 0.6952 NPC325441
Remote Similarity 0.6937 NPC125732
Remote Similarity 0.6931 NPC117180
Remote Similarity 0.6923 NPC3202
Remote Similarity 0.6916 NPC245259
Remote Similarity 0.6905 NPC472414
Remote Similarity 0.6905 NPC4974
Remote Similarity 0.6903 NPC19856
Remote Similarity 0.6887 NPC1793
Remote Similarity 0.6881 NPC289769
Remote Similarity 0.6875 NPC289117
Remote Similarity 0.6875 NPC469481
Remote Similarity 0.687 NPC132847
Remote Similarity 0.6869 NPC66655
Remote Similarity 0.6864 NPC163674
Remote Similarity 0.6864 NPC227553
Remote Similarity 0.6857 NPC211237
Remote Similarity 0.685 NPC278097
Remote Similarity 0.685 NPC29477
Remote Similarity 0.6847 NPC107619
Remote Similarity 0.6842 NPC238696
Remote Similarity 0.6837 NPC189371
Remote Similarity 0.6833 NPC205652
Remote Similarity 0.6829 NPC268572
Remote Similarity 0.6829 NPC283760
Remote Similarity 0.6818 NPC8392
Remote Similarity 0.6818 NPC21959
Remote Similarity 0.681 NPC37584
Remote Similarity 0.6803 NPC283468
Remote Similarity 0.68 NPC224544
Remote Similarity 0.6786 NPC12730
Remote Similarity 0.6783 NPC243601
Remote Similarity 0.6783 NPC474559
Remote Similarity 0.6774 NPC326232
Remote Similarity 0.6772 NPC325013
Remote Similarity 0.6759 NPC79917
Remote Similarity 0.6754 NPC471317
Remote Similarity 0.6754 NPC471310
Remote Similarity 0.6748 NPC122009
Remote Similarity 0.6746 NPC471314
Remote Similarity 0.6746 NPC472415
Remote Similarity 0.6746 NPC471315
Remote Similarity 0.6744 NPC259098
Remote Similarity 0.6744 NPC197680
Remote Similarity 0.6744 NPC71271
Remote Similarity 0.6731 NPC95429
Remote Similarity 0.6727 NPC245187
Remote Similarity 0.6726 NPC211885
Remote Similarity 0.6726 NPC29601
Remote Similarity 0.6718 NPC476685
Remote Similarity 0.6718 NPC476687
Remote Similarity 0.6718 NPC476689
Remote Similarity 0.6718 NPC476570
Remote Similarity 0.6697 NPC204210
Remote Similarity 0.6697 NPC306074
Remote Similarity 0.6697 NPC304541
Remote Similarity 0.6696 NPC315794
Remote Similarity 0.6696 NPC224610
Remote Similarity 0.6696 NPC77492
Remote Similarity 0.6696 NPC194390
Remote Similarity 0.6696 NPC88267
Remote Similarity 0.6696 NPC113326
Remote Similarity 0.6696 NPC315921
Remote Similarity 0.6694 NPC33742
Remote Similarity 0.6694 NPC319950
Remote Similarity 0.6691 NPC77572
Remote Similarity 0.6691 NPC33011
Remote Similarity 0.6667 NPC51015
Remote Similarity 0.6667 NPC472980
Remote Similarity 0.6667 NPC258219
Remote Similarity 0.6667 NPC70436
Remote Similarity 0.6667 NPC472979
Remote Similarity 0.6667 NPC474862
Remote Similarity 0.6667 NPC222146
Remote Similarity 0.6667 NPC153007
Remote Similarity 0.6667 NPC123273
Remote Similarity 0.6667 NPC242240
Remote Similarity 0.6667 NPC27252
Remote Similarity 0.6667 NPC210950
Remote Similarity 0.6667 NPC144682
Remote Similarity 0.6667 NPC318325
Remote Similarity 0.6667 NPC199738
Remote Similarity 0.6641 NPC474479
Remote Similarity 0.6641 NPC95733
Remote Similarity 0.6641 NPC62101
Remote Similarity 0.664 NPC160120
Remote Similarity 0.664 NPC17388
Remote Similarity 0.664 NPC190663
Remote Similarity 0.664 NPC53596
Remote Similarity 0.664 NPC471308
Remote Similarity 0.664 NPC263835
Remote Similarity 0.664 NPC289330
Remote Similarity 0.6638 NPC117115
Remote Similarity 0.6638 NPC471133
Remote Similarity 0.6637 NPC252821
Remote Similarity 0.6637 NPC122005
Remote Similarity 0.6636 NPC55903
Remote Similarity 0.6636 NPC262393
Remote Similarity 0.6636 NPC307235
Remote Similarity 0.6636 NPC23167
Remote Similarity 0.6636 NPC407
Remote Similarity 0.6636 NPC271440
Remote Similarity 0.6615 NPC295478
Remote Similarity 0.6615 NPC66177
Remote Similarity 0.6615 NPC8305
Remote Similarity 0.6615 NPC268763
Remote Similarity 0.661 NPC64642
Remote Similarity 0.661 NPC149455
Remote Similarity 0.661 NPC472982

Drug Structure

External Identifiers

TTD   DNC005261
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   148140
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  161.08
ALogP  0.6034
MLogP  2.34
XLogP  3.034
HDA  2
HBD  1
Rotatable Bonds  2
TPSA  32.59
RO5 Violation  0