NPASS drugs

Drug Information

Drug ID:	NPD1137
Drug Name:	Fospropofol Disodium
Molecular Formula:	C13H21O5P.2Na
Canonical SMILES:	CC(c1cccc(c1OCOP(=O)([O-])[O-])C(C)C)C.[Na+].[Na+]
Standard InCHI:	InChI=1S/C13H21O5P.2Na/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16;;/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16);;/q;2*+1/p-2
Standard InCHIKey:	LWYLQNWMSGFCOZ-UHFFFAOYSA-L
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD1137

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.

Range	Similarity Score Range
0-0.1	240
0.1-0.2	1210
0.2-0.3	3105
0.3-0.4	10072
0.4-0.5	3490
0.5-0.6	8271
0.6-0.7	4241
0.7-0.8	259
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

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	0.8165	NPC24327
Intermediate Similarity	0.8165	NPC12870
Intermediate Similarity	0.7982	NPC473809
Intermediate Similarity	0.7946	NPC30416
Intermediate Similarity	0.7845	NPC199462
Intermediate Similarity	0.783	NPC321956
Intermediate Similarity	0.7798	NPC470161
Intermediate Similarity	0.7778	NPC141003
Intermediate Similarity	0.7778	NPC35344
Intermediate Similarity	0.7759	NPC470723
Intermediate Similarity	0.7748	NPC300166
Intermediate Similarity	0.7736	NPC71853
Intermediate Similarity	0.7692	NPC280760
Intermediate Similarity	0.7692	NPC98372
Intermediate Similarity	0.7647	NPC283169
Intermediate Similarity	0.7642	NPC177844
Intermediate Similarity	0.7642	NPC259134
Intermediate Similarity	0.7642	NPC8002
Intermediate Similarity	0.7642	NPC99886
Intermediate Similarity	0.7636	NPC95755
Intermediate Similarity	0.7632	NPC326801
Intermediate Similarity	0.7623	NPC344161
Intermediate Similarity	0.7607	NPC275627
Intermediate Similarity	0.7589	NPC84325
Intermediate Similarity	0.7583	NPC312105
Intermediate Similarity	0.7568	NPC100870
Intermediate Similarity	0.7565	NPC233320
Intermediate Similarity	0.7544	NPC227255
Intermediate Similarity	0.7544	NPC473855
Intermediate Similarity	0.7523	NPC471581
Intermediate Similarity	0.7521	NPC25648
Intermediate Similarity	0.75	NPC201959
Intermediate Similarity	0.75	NPC80241
Intermediate Similarity	0.75	NPC301641
Intermediate Similarity	0.7479	NPC165106
Intermediate Similarity	0.7478	NPC113457
Intermediate Similarity	0.7456	NPC38079
Intermediate Similarity	0.7456	NPC108875
Intermediate Similarity	0.7436	NPC474272
Intermediate Similarity	0.7419	NPC322569
Intermediate Similarity	0.7402	NPC17348
Intermediate Similarity	0.7391	NPC470393
Intermediate Similarity	0.7377	NPC263754
Intermediate Similarity	0.7377	NPC183154
Intermediate Similarity	0.7373	NPC31279
Intermediate Similarity	0.7368	NPC298224
Intermediate Similarity	0.7364	NPC289769
Intermediate Similarity	0.736	NPC251259
Intermediate Similarity	0.7355	NPC473264
Intermediate Similarity	0.7355	NPC475815
Intermediate Similarity	0.7355	NPC47194
Intermediate Similarity	0.735	NPC75440
Intermediate Similarity	0.7333	NPC90903
Intermediate Similarity	0.7333	NPC109241
Intermediate Similarity	0.7328	NPC1065
Intermediate Similarity	0.7328	NPC326447
Intermediate Similarity	0.7321	NPC77492
Intermediate Similarity	0.7321	NPC175298
Intermediate Similarity	0.7317	NPC131118
Intermediate Similarity	0.7317	NPC63010
Intermediate Similarity	0.7304	NPC292792
Intermediate Similarity	0.7304	NPC109637
Intermediate Similarity	0.7304	NPC283546
Intermediate Similarity	0.7304	NPC38209
Intermediate Similarity	0.7304	NPC241224
Intermediate Similarity	0.7302	NPC473464
Intermediate Similarity	0.7302	NPC150026
Intermediate Similarity	0.7302	NPC476332
Intermediate Similarity	0.7302	NPC152946
Intermediate Similarity	0.7297	NPC8392
Intermediate Similarity	0.7295	NPC9341
Intermediate Similarity	0.7295	NPC81067
Intermediate Similarity	0.7293	NPC90083
Intermediate Similarity	0.7293	NPC170779
Intermediate Similarity	0.7288	NPC471954
Intermediate Similarity	0.7288	NPC75272
Intermediate Similarity	0.7288	NPC127326
Intermediate Similarity	0.7287	NPC177167
Intermediate Similarity	0.7281	NPC51633
Intermediate Similarity	0.7281	NPC307425
Intermediate Similarity	0.728	NPC131868
Intermediate Similarity	0.728	NPC212559
Intermediate Similarity	0.728	NPC129176
Intermediate Similarity	0.7273	NPC161696
Intermediate Similarity	0.7265	NPC186469
Intermediate Similarity	0.7265	NPC194034
Intermediate Similarity	0.7258	NPC20230
Intermediate Similarity	0.7258	NPC98748
Intermediate Similarity	0.7258	NPC38181
Intermediate Similarity	0.7257	NPC128723
Intermediate Similarity	0.7257	NPC471576
Intermediate Similarity	0.7252	NPC473048
Intermediate Similarity	0.7252	NPC325003
Intermediate Similarity	0.7244	NPC249788
Intermediate Similarity	0.7244	NPC472518
Intermediate Similarity	0.7241	NPC475269
Intermediate Similarity	0.7241	NPC238115
Intermediate Similarity	0.7236	NPC238176
Intermediate Similarity	0.7236	NPC187993
Intermediate Similarity	0.7231	NPC223912
Intermediate Similarity	0.7227	NPC231251
Intermediate Similarity	0.7227	NPC2682
Intermediate Similarity	0.7227	NPC475852
Intermediate Similarity	0.7227	NPC303521
Intermediate Similarity	0.7227	NPC88868
Intermediate Similarity	0.7227	NPC25067
Intermediate Similarity	0.7222	NPC476633
Intermediate Similarity	0.7222	NPC475839
Intermediate Similarity	0.7217	NPC192596
Intermediate Similarity	0.7217	NPC179686
Intermediate Similarity	0.7217	NPC305205
Intermediate Similarity	0.7213	NPC473718
Intermediate Similarity	0.7213	NPC808
Intermediate Similarity	0.7209	NPC274356
Intermediate Similarity	0.7203	NPC241549
Intermediate Similarity	0.7203	NPC291837
Intermediate Similarity	0.72	NPC474131
Intermediate Similarity	0.7193	NPC107101
Intermediate Similarity	0.7193	NPC13755
Intermediate Similarity	0.7188	NPC75432
Intermediate Similarity	0.7188	NPC27671
Intermediate Similarity	0.7188	NPC201667
Intermediate Similarity	0.7188	NPC73413
Intermediate Similarity	0.7179	NPC176971
Intermediate Similarity	0.7177	NPC474040
Intermediate Similarity	0.7177	NPC329980
Intermediate Similarity	0.7176	NPC474494
Intermediate Similarity	0.7176	NPC25729
Intermediate Similarity	0.7167	NPC195873
Intermediate Similarity	0.7165	NPC96286
Intermediate Similarity	0.7165	NPC248429
Intermediate Similarity	0.7165	NPC188997
Intermediate Similarity	0.7155	NPC2518
Intermediate Similarity	0.7154	NPC54507
Intermediate Similarity	0.7154	NPC100129
Intermediate Similarity	0.7154	NPC158737
Intermediate Similarity	0.7154	NPC33900
Intermediate Similarity	0.7154	NPC150624
Intermediate Similarity	0.7154	NPC64948
Intermediate Similarity	0.7154	NPC69539
Intermediate Similarity	0.7154	NPC85292
Intermediate Similarity	0.7154	NPC229147
Intermediate Similarity	0.7154	NPC98745
Intermediate Similarity	0.7143	NPC149545
Intermediate Similarity	0.7143	NPC234639
Intermediate Similarity	0.7143	NPC277798
Intermediate Similarity	0.7143	NPC7744
Intermediate Similarity	0.7143	NPC144682
Intermediate Similarity	0.7143	NPC100108
Intermediate Similarity	0.7132	NPC76119
Intermediate Similarity	0.7132	NPC471827
Intermediate Similarity	0.7132	NPC471828
Intermediate Similarity	0.7132	NPC170749
Intermediate Similarity	0.7132	NPC4286
Intermediate Similarity	0.7132	NPC81641
Intermediate Similarity	0.7131	NPC470837
Intermediate Similarity	0.713	NPC310905
Intermediate Similarity	0.713	NPC51015
Intermediate Similarity	0.713	NPC12714
Intermediate Similarity	0.712	NPC172253
Intermediate Similarity	0.712	NPC59561
Intermediate Similarity	0.712	NPC32152
Intermediate Similarity	0.712	NPC51341
Intermediate Similarity	0.7119	NPC151530
Intermediate Similarity	0.7119	NPC251306
Intermediate Similarity	0.7119	NPC157473
Intermediate Similarity	0.7109	NPC109675
Intermediate Similarity	0.7109	NPC261992
Intermediate Similarity	0.7109	NPC273772
Intermediate Similarity	0.7107	NPC228452
Intermediate Similarity	0.7105	NPC252821
Intermediate Similarity	0.7105	NPC122005
Intermediate Similarity	0.7099	NPC226862
Intermediate Similarity	0.7099	NPC158471
Intermediate Similarity	0.7099	NPC57119
Intermediate Similarity	0.7099	NPC53986
Intermediate Similarity	0.7099	NPC165128
Intermediate Similarity	0.7099	NPC38664
Intermediate Similarity	0.7097	NPC69261
Intermediate Similarity	0.7097	NPC50521
Intermediate Similarity	0.7097	NPC244816
Intermediate Similarity	0.7097	NPC221549
Intermediate Similarity	0.7097	NPC33270
Intermediate Similarity	0.7094	NPC128730
Intermediate Similarity	0.7094	NPC473393
Intermediate Similarity	0.7094	NPC288760
Intermediate Similarity	0.7094	NPC139891
Intermediate Similarity	0.7087	NPC168707
Intermediate Similarity	0.7087	NPC48623
Intermediate Similarity	0.7087	NPC226712
Intermediate Similarity	0.7083	NPC137685
Intermediate Similarity	0.7083	NPC106141
Intermediate Similarity	0.7083	NPC168657
Intermediate Similarity	0.7077	NPC213711
Intermediate Similarity	0.7077	NPC40352
Intermediate Similarity	0.7073	NPC185541
Intermediate Similarity	0.7073	NPC464
Intermediate Similarity	0.7063	NPC117780
Intermediate Similarity	0.7063	NPC232316
Intermediate Similarity	0.7063	NPC103916

Drug Structure

NPD1137 OpenBabel08201723592D 21 19 0 0 0 0 0 0 0 0999 V2000 2.3660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5000 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.4553 1.0596 0.0000 Na 0 3 0 0 0 15 0 0 0 0 0 0 6.8301 -0.5000 0.0000 Na 0 3 0 0 0 15 0 0 0 0 0 0 1 9 1 0 0 0 0 2 9 1 0 0 0 0 3 10 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 15 19 1 0 0 0 0 16 19 2 0 0 0 0 18 19 1 0 0 0 0 M CHG 4 14 -1 15 -1 20 1 21 1 M END $$$$

External Identifiers

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

Drug Properties

Molecular Weight	286.10
ALogP	-0.7545
MLogP	2.23
XLogP	3.14
HDA	4
HBD	0
Rotatable Bonds	12
TPSA	91.46
RO5 Violation	0