Molecular Properties | |
SMILES: | N#CC1CN(S(=O)(=O)N2Cc3ccc(Cl)cc3[C@](F)(C(=O)Nc3cncc4cc(F)ccc34)C2)C1 |
MW: | 517.08 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 106.4 |
cLogP: | 3.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-6da3dcd8-7
0.782
PET-UNK-6da3dcd8-16
0.731
PET-UNK-6da3dcd8-12
0.727
PET-UNK-6da3dcd8-15
0.725
PET-UNK-6da3dcd8-14
0.709
PET-UNK-6da3dcd8-20
0.682
BEN-DND-f06bfa8e-3
0.602
ALP-POS-6f6ae286-6
0.602
PET-UNK-6da3dcd8-6
0.564
PET-UNK-6da3dcd8-5
0.559
PET-UNK-03fd2068-9
0.558
PET-UNK-6da3dcd8-11
0.558
PET-UNK-6da3dcd8-2
0.546
PET-UNK-6da3dcd8-13
0.543
PET-UNK-b566c0b0-9
0.538
PET-UNK-6da3dcd8-4
0.536
PET-UNK-407a74a5-17
0.527
PET-UNK-bcc8fd08-6
0.525
PET-UNK-6da3dcd8-10
0.521
PET-UNK-6da3dcd8-19
0.516
PET-UNK-407a74a5-9
0.513
PET-UNK-6da3dcd8-18
0.512
PET-UNK-407a74a5-16
0.500
PET-UNK-03fd2068-4
0.487
PET-UNK-407a74a5-18
0.487
PET-UNK-407a74a5-15
0.487
EDJ-MED-7889e8da-2
0.476
EDJ-MED-be9e6f63-2
0.476
JOH-UNI-06d7cc04-1
0.475
ALP-POS-6f6ae286-4
0.465
PET-UNK-ff046148-3
0.464
PET-UNK-ff046148-2
0.463
JOH-UNI-06346b80-1
0.460
PET-UNK-03fd2068-11
0.459
PET-UNK-ff046148-4
0.455
PET-UNK-407a74a5-13
0.454
EDJ-MED-ede277f6-1
0.453
EDJ-MED-1981ceba-4
0.451
PET-UNK-c65ea24c-1
0.451
EDG-MED-b8f93667-3
0.449
PET-UNK-f9b7ae87-5
0.445
PET-UNK-b566c0b0-1
0.445
PET-UNK-407a74a5-12
0.445
EDJ-MED-ede277f6-10
0.442
MAT-POS-c88128cb-13
0.441
ALP-POS-d054b76b-4
0.439
PET-UNK-6e612674-13
0.438
PET-UNK-6e612674-5
0.438
PET-UNK-c65ea24c-7
0.437
EDJ-MED-c3ea9889-6
0.436
PET-UNK-b78139fa-14
0.436
PET-UNK-407a74a5-14
0.434
PET-UNK-6e612674-1
0.433
PET-UNK-6e612674-9
0.433
PET-UNK-407a74a5-11
0.433
EDG-MED-b8f93667-7
0.433
EDJ-MED-ede277f6-4
0.433
EDJ-MED-dac03e7f-5
0.431
PET-UNK-03fd2068-6
0.430
ALP-POS-6f6ae286-5
0.427
BEN-DND-f06bfa8e-2
0.427
EDJ-MED-7889e8da-1
0.427
EDJ-MED-0186a59b-1
0.427
EDG-MED-b8f93667-5
0.425
PET-UNK-407a74a5-10
0.425
PET-UNK-1e13ef09-1
0.424
ALP-POS-6f6ae286-2
0.421
PET-UNK-4b4f2bb7-5
0.421
EDJ-MED-487c5e9f-6
0.421
EDJ-MED-3bfd841e-1
0.421
EDJ-MED-841e0cf0-3
0.418
EDJ-MED-670ad2ee-3
0.418
EDJ-MED-923a35c2-5
0.418
EDJ-MED-ede277f6-7
0.414
PET-UNK-5d7c542f-1
0.413
JOH-UNI-e398da21-2
0.413
MIC-UNK-6e9f8a43-1
0.413
ALP-POS-6f6ae286-3
0.413
EDJ-MED-dac03e7f-6
0.412
ALP-POS-ecbed2ba-9
0.411
EDG-MED-b8f93667-1
0.411
PET-UNK-c671f938-5
0.407
PET-UNK-c671f938-1
0.407
EDJ-MED-dac03e7f-7
0.406
PET-UNK-b38839dc-22
0.405
PET-UNK-b566c0b0-8
0.405
PET-UNK-bcc8fd08-3
0.403
PET-UNK-6da3dcd8-1
0.402
PET-UNK-9bf1291a-1
0.402
ALP-POS-5290f14d-1
0.402
MIC-UNK-ea4eb352-2
0.402
PET-UNK-c65ea24c-13
0.400
EDJ-MED-dac03e7f-8
0.398
PET-UNK-81b485b5-20
0.398
PET-UNK-f4e47ebd-24
0.398
PET-UNK-81b485b5-6
0.398
PET-UNK-9bf1291a-4
0.397
BEN-DND-a88ffd65-2
0.394
PET-UNK-bcc8fd08-5
0.394
RAL-THA-ee48ba5f-3
0.392