Drug ID:   | NPD7383 |
Drug Name:   | Ethylenediamine |
Molecular Formula:   | C2H8N2 |
Canonical SMILES:   | NCCN |
Standard InCHI:   | InChI=1S/C2H8N2/c3-1-2-4/h1-4H2 |
Standard InCHIKey:   | PIICEJLVQHRZGT-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 3 |
Max Developmental Stage Source:   | ChEMBL |
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.
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 | 0.8421 | NPC309715 |
Intermediate Similarity | 0.8095 | NPC318947 |
Intermediate Similarity | 0.8 | NPC28081 |
Intermediate Similarity | 0.8 | NPC309330 |
Intermediate Similarity | 0.7273 | NPC306277 |
Intermediate Similarity | 0.7143 | NPC27869 |
Remote Similarity | 0.6522 | NPC119368 |
Remote Similarity | 0.625 | NPC125872 |
Remote Similarity | 0.625 | NPC83032 |
Remote Similarity | 0.6154 | NPC27675 |
Remote Similarity | 0.6087 | NPC326253 |
Remote Similarity | 0.5926 | NPC152949 |
Remote Similarity | 0.5926 | NPC193536 |
Molecular Weight   | 60.07 |
ALogP   | -1.4766 |
MLogP   | 1.46 |
XLogP   | -1.342 |
HDA   | 2 |
HBD   | 2 |
Rotatable Bonds   | 3 |
TPSA   | 52.04 |
RO5 Violation   | 0 |