Molecular Properties | |
SMILES: | O=C(Nc1cncc2cc(F)ccc12)[C@]1(F)CCOc2ccc(Cl)cc21 |
MW: | 374.06 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-407a74a5-5
0.733
PET-UNK-407a74a5-10
0.667
ALP-POS-6f6ae286-3
0.667
PET-UNK-5d7c542f-1
0.667
PET-UNK-bcc8fd08-3
0.646
PET-UNK-407a74a5-16
0.634
PET-UNK-407a74a5-17
0.567
EDJ-MED-c3ea9889-6
0.551
PET-UNK-407a74a5-18
0.551
PET-UNK-407a74a5-9
0.550
PET-UNK-81b485b5-20
0.545
PET-UNK-81b485b5-6
0.545
PET-UNK-6da3dcd8-12
0.535
PET-UNK-03fd2068-8
0.529
PET-UNK-6da3dcd8-14
0.524
PET-UNK-03fd2068-1
0.520
PET-UNK-b78139fa-14
0.520
MIC-UNK-6e9f8a43-2
0.505
JOH-UNI-06d7cc04-1
0.505
MAT-POS-2905de8c-3
0.500
MAT-POS-8e4737f4-1
0.500
DAR-DIA-6a508060-10
0.500
PET-UNK-f9b7ae87-5
0.500
ALP-POS-6f6ae286-2
0.500
BEN-DND-a7517465-4
0.500
EDJ-MED-e4b030d8-13
0.500
PET-UNK-407a74a5-11
0.500
PET-UNK-4b4f2bb7-5
0.500
PET-UNK-407a74a5-13
0.495
EDG-MED-90036822-24
0.495
PET-UNK-5d7c542f-2
0.495
MAT-POS-c88128cb-13
0.495
PET-UNK-6e612674-5
0.491
PET-UNK-6e612674-13
0.491
ALP-POS-93b3621f-4
0.491
EDG-MED-b8f93667-3
0.490
MAT-POS-a5ef2d74-2
0.490
MAT-POS-ec6d90b7-4
0.490
EDJ-MED-611d11e7-4
0.490
JOH-UNI-04a01eac-2
0.490
PET-UNK-6da3dcd8-17
0.487
JOH-UNI-06346b80-1
0.487
PET-UNK-407a74a5-14
0.486
PET-UNK-6e612674-1
0.486
PET-UNK-b566c0b0-1
0.486
PET-UNK-407a74a5-12
0.486
PET-UNK-6e612674-9
0.486
MAT-POS-9db1e783-1
0.485
EDG-MED-971238d3-1
0.485
PET-UNK-6da3dcd8-20
0.482
EDG-MED-10fcb19e-2
0.481
EDG-MED-10fcb19e-4
0.481
PET-UNK-10c83c8b-1
0.476
PET-UNK-bcc8fd08-2
0.476
PET-UNK-29afea89-1
0.476
MAT-POS-3b97339c-2
0.475
MAT-POS-2905de8c-1
0.475
EDG-MED-971238d3-4
0.475
EDG-MED-971238d3-11
0.475
MAT-POS-2905de8c-2
0.475
EDG-MED-90036822-63
0.472
MAT-POS-e6dd326d-2
0.471
MAT-POS-45b13633-2
0.471
EDG-MED-90036822-86
0.471
JOH-UNI-766085ab-1
0.469
EDG-MED-b8f93667-7
0.469
EDJ-MED-3bfd841e-1
0.468
EDG-MED-90036822-72
0.468
EDJ-MED-6bf93aa8-1
0.468
DAR-DIA-e7614d05-2
0.467
ALP-POS-93b3621f-1
0.467
DAR-DIA-e7614d05-3
0.467
DAR-DIA-e7614d05-1
0.467
RAL-THA-58fba2bc-1
0.467
MAT-POS-45b13633-4
0.467
EDG-MED-971238d3-10
0.467
MAT-POS-9db1e783-2
0.466
EDJ-MED-d08626de-1
0.466
PET-UNK-29afea89-2
0.466
EDG-MED-0e5afe9d-3
0.466
PET-UNK-03fd2068-2
0.466
EDG-MED-971238d3-2
0.466
EDJ-MED-d08626de-2
0.466
JOH-UNI-04a01eac-4
0.465
EDJ-MED-f893e2a1-9
0.464
MIC-UNK-7f86385f-1
0.464
EDJ-MED-1b46f08e-1
0.464
DAR-DIA-ecdbc7dd-13
0.462
MAT-POS-e6dd326d-1
0.462
EDG-MED-971238d3-5
0.462
MAT-POS-45b13633-1
0.462
MAT-POS-2bb0cf2b-1
0.462
EDG-MED-b8f93667-5
0.460
JOH-UNI-d0d90dc1-2
0.460
DAR-DIA-ecdbc7dd-16
0.459
RAL-THA-e002e396-5
0.459
RAL-THA-e002e396-1
0.458
PET-UNK-b38839dc-19
0.458
EDG-MED-90036822-100
0.458
RAL-THA-e002e396-2
0.458