NPASS drugs

Drug Information

Drug ID:	NPD2270
Drug Name:
Molecular Formula:	C16H32O2
Canonical SMILES:	CCCCCCCCCCCCCCCC(=O)O
Standard InCHI:	InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
Standard InCHIKey:	IPCSVZSSVZVIGE-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	TTD

Structural Similarity Between NPASS Natural Products and NPD2270

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	248
0.1-0.2	5799
0.2-0.3	12952
0.3-0.4	7405
0.4-0.5	3515
0.5-0.6	678
0.6-0.7	167
0.7-0.8	69
0.8-0.85	16
0.85-0.9	20
0.9-0.95	13
0.95-1	8

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

Show entries

Search:

Similarity Level	Similarity Score	Natural Product ID
High Similarity	1.0	NPC149184
High Similarity	1.0	NPC171736
High Similarity	1.0	NPC196924
High Similarity	1.0	NPC307783
High Similarity	1.0	NPC209970
High Similarity	1.0	NPC216630
High Similarity	0.9744	NPC67462
High Similarity	0.95	NPC74845
High Similarity	0.9474	NPC113928
High Similarity	0.9474	NPC301585

Showing 1 to 10 of 200 entries

Previous1 2 3 4 5…20Next

Drug Structure

External Identifiers

TTD	DIB015867
DrugBank
ChEMBL
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID
ChEBI
CAS Number

Drug Properties

Molecular Weight	256.24
ALogP	-3.8977
MLogP	3
XLogP	7.57
HDA	2
HBD	1
Rotatable Bonds	16
TPSA	37.3
RO5 Violation	2