Molecular Properties | |
SMILES: | C#C[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 362.08 |
Fraction sp3: | 0.14 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
triple bond
triple_bond
PET-UNK-407a74a5-18
PET-UNK-407a74a5-16
PET-UNK-407a74a5-14
PET-UNK-407a74a5-12
PET-UNK-407a74a5-10
PET-UNK-407a74a5-9
PET-UNK-407a74a5-7
PET-UNK-407a74a5-5
PET-UNK-407a74a5-17
PET-UNK-407a74a5-11
PET-UNK-407a74a5-6
PET-UNK-407a74a5-4
PET-UNK-407a74a5-2
PET-UNK-407a74a5-1
PET-UNK-407a74a5-8
PET-UNK-407a74a5-13
PET-UNK-407a74a5-15
PET-UNK-407a74a5-3
PET-UNK-6da3dcd8-20
PET-UNK-6da3dcd8-18
PET-UNK-6da3dcd8-13
PET-UNK-6da3dcd8-12
PET-UNK-6da3dcd8-11
PET-UNK-6da3dcd8-10
PET-UNK-6da3dcd8-9
PET-UNK-6da3dcd8-5
PET-UNK-6da3dcd8-4
PET-UNK-6da3dcd8-1
PET-UNK-6da3dcd8-16
PET-UNK-6da3dcd8-14
PET-UNK-6da3dcd8-8
PET-UNK-6da3dcd8-7
PET-UNK-6da3dcd8-19
PET-UNK-6da3dcd8-15
PET-UNK-6da3dcd8-17
PET-UNK-6da3dcd8-6
PET-UNK-6da3dcd8-3
PET-UNK-6da3dcd8-2
PET-UNK-757f8bc8-12
PET-UNK-757f8bc8-11
PET-UNK-757f8bc8-6
PET-UNK-757f8bc8-5
PET-UNK-757f8bc8-10
PET-UNK-757f8bc8-9
PET-UNK-757f8bc8-8
PET-UNK-757f8bc8-7
PET-UNK-757f8bc8-4
PET-UNK-757f8bc8-2
PET-UNK-757f8bc8-1
PET-UNK-757f8bc8-3
PET-UNK-407a74a5-10
0.742
EDG-MED-971238d3-1
0.670
MAT-POS-9db1e783-1
0.670
MAT-POS-8e4737f4-1
0.652
EDJ-MED-e4b030d8-13
0.652
BEN-DND-a7517465-4
0.652
DAR-DIA-6a508060-10
0.652
MAT-POS-2905de8c-3
0.652
EDG-MED-90036822-86
0.648
EDJ-MED-d08626de-2
0.641
EDG-MED-0e5afe9d-3
0.641
EDJ-MED-d08626de-1
0.641
PET-UNK-29afea89-2
0.641
EDG-MED-971238d3-4
0.637
MAT-POS-2905de8c-2
0.637
MAT-POS-3b97339c-2
0.637
MAT-POS-2905de8c-1
0.637
PET-UNK-407a74a5-5
0.637
EDG-MED-971238d3-11
0.637
MIC-UNK-6e9f8a43-2
0.634
EDG-MED-90036822-100
0.625
EDG-MED-971238d3-2
0.624
MAT-POS-9db1e783-2
0.624
EDG-MED-90036822-13
0.621
EDG-MED-90036822-24
0.619
EDG-MED-971238d3-5
0.617
MAT-POS-2bb0cf2b-1
0.617
MAT-POS-45b13633-1
0.617
MAT-POS-e6dd326d-1
0.617
EDG-MED-90036822-2
0.615
PET-UNK-10c83c8b-1
0.615
MAT-POS-e6dd326d-2
0.611
MAT-POS-45b13633-2
0.611
EDG-MED-90036822-29
0.608
EDG-MED-90036822-28
0.608
EDG-MED-90036822-63
0.608
EDG-MED-90036822-21
0.606
RAL-THA-58fba2bc-3
0.604
EDG-MED-971238d3-3
0.604
EDG-MED-971238d3-10
0.604
RAL-THA-58fba2bc-1
0.604
DAR-DIA-e7614d05-1
0.604
MAT-POS-45b13633-4
0.604
JAG-UCB-706446eb-3
0.604
EDG-MED-971238d3-9
0.604
DAR-DIA-e7614d05-2
0.604
ALP-POS-93b3621f-1
0.604
DAR-DIA-e7614d05-3
0.604
PET-UNK-bcc8fd08-1
0.604
EDG-MED-971238d3-6
0.604
EDG-MED-90036822-56
0.600
EDG-MED-90036822-62
0.600
EDG-MED-90036822-5
0.600
DAR-DIA-ecdbc7dd-13
0.598
MAT-POS-e6dd326d-3
0.598
MAT-POS-45b13633-3
0.598
PET-UNK-824b5c6a-1
0.598
EDG-MED-90036822-76
0.596
EDG-MED-90036822-77
0.596
EDG-MED-90036822-11
0.596
VLA-UCB-551c2366-1
0.596
EDG-MED-90036822-10
0.596
FRA-DIA-13af2da5-2
0.596
PET-UNK-0cc03aae-5
0.594
EDG-MED-90036822-80
0.594
PET-UNK-407a74a5-1
0.594
RAL-THA-e002e396-1
0.592
RAL-THA-e002e396-2
0.592
RAL-THA-e002e396-11
0.592
PET-UNK-824b5c6a-3
0.592
DAR-DIA-ecdbc7dd-3
0.590
EDG-MED-90036822-9
0.590
EDG-MED-90036822-34
0.590
EDG-MED-90036822-84
0.588
RAL-THA-58fba2bc-4
0.586
EDG-MED-971238d3-8
0.586
ED_-GRI-5b13fbe2-72
0.586
EDG-MED-4c68219f-6
0.586
MIC-UNK-ddc6ad53-1
0.586
EDG-MED-971238d3-7
0.586
EDG-MED-4c68219f-12
0.586
RAL-THA-58fba2bc-2
0.586
DAR-DIA-ecdbc7dd-4
0.586
EDJ-MED-f893e2a1-8
0.586
RAL-THA-e002e396-6
0.586
MAT-POS-e6dd326d-4
0.586
MAT-POS-e6dd326d-9
0.586
EDG-MED-4c68219f-10
0.586
MAT-POS-5d65ec79-2
0.586
MAT-POS-f9802937-5
0.586
MAT-POS-f9802937-6
0.586
EDG-MED-90036822-103
0.585
EDG-MED-90036822-4
0.584
EDG-MED-90036822-15
0.584
EDG-MED-90036822-44
0.584
EDG-MED-90036822-47
0.584
EDG-MED-90036822-3
0.584
EDG-MED-90036822-16
0.584
EDG-MED-90036822-17
0.584
EDG-MED-90036822-48
0.584