Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)NCc2ccc(Cl)cc2NC(=O)Nc2cncc3cc(F)ccc23)CC1 |
MW: | 487.09 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 123.98 |
cLogP: | 4.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
BEN-DND-a88ffd65-3
0.723
BEN-DND-a88ffd65-1
0.626
ALP-POS-d7944b10-3
0.518
ALP-POS-6479a3a9-1
0.518
EDJ-MED-7889e8da-2
0.504
EDJ-MED-be9e6f63-2
0.504
BEN-DND-a88ffd65-4
0.500
PET-UNK-6da3dcd8-19
0.496
PET-UNK-6da3dcd8-20
0.483
ALP-POS-6f6ae286-4
0.479
ALP-POS-bb8a3193-7
0.477
ALP-POS-d7944b10-9
0.475
ALP-POS-6479a3a9-5
0.470
PET-UNK-6da3dcd8-18
0.468
ALP-POS-6479a3a9-4
0.466
ALP-POS-d7944b10-11
0.458
PET-UNK-ff046148-2
0.430
JIN-POS-6dc588a4-11
0.422
ALP-POS-bb8a3193-1
0.417
PET-UNK-03fd2068-4
0.414
PET-UNK-ff046148-4
0.410
PET-UNK-6da3dcd8-11
0.408
PET-UNK-ff046148-3
0.408
PET-UNK-c671f938-1
0.407
PET-UNK-c671f938-5
0.407
EDG-MED-b8f93667-5
0.403
ALP-POS-6f6ae286-6
0.403
BEN-DND-f06bfa8e-3
0.403
EDG-MED-b8f93667-3
0.402
PET-UNK-6da3dcd8-12
0.402
EDG-MED-b8f93667-7
0.400
EDJ-MED-ede277f6-1
0.398
EDJ-MED-ede277f6-10
0.398
EDJ-MED-dac03e7f-5
0.398
PET-UNK-6da3dcd8-13
0.398
PET-UNK-03fd2068-9
0.397
PET-UNK-6da3dcd8-16
0.395
EDJ-MED-7889e8da-6
0.394
EDJ-MED-378a25ea-9
0.394
PET-UNK-6da3dcd8-17
0.394
EDJ-MED-0186a59b-1
0.393
ALP-POS-6f6ae286-5
0.393
EDJ-MED-7889e8da-1
0.393
BEN-DND-f06bfa8e-2
0.393
EDJ-MED-be9e6f63-4
0.393
EDJ-MED-7889e8da-4
0.393
MAT-POS-86c60949-1
0.391
EDJ-MED-b7309adf-1
0.391
PET-UNK-2c6614b6-5
0.391
EDJ-MED-378a25ea-11
0.391
ALP-POS-bb8a3193-6
0.390
PET-UNK-407a74a5-10
0.390
PET-UNK-407a74a5-9
0.390
PET-UNK-b78139fa-5
0.389
EDJ-MED-ede277f6-4
0.389
MAT-POS-b4d6b7fc-9
0.389
MAT-POS-81ae2990-9
0.389
PET-UNK-407a74a5-14
0.388
PET-UNK-407a74a5-15
0.388
PET-UNK-407a74a5-16
0.388
PET-UNK-b78139fa-14
0.388
PET-UNK-1e13ef09-1
0.388
EDJ-MED-3bfd841e-1
0.387
PET-UNK-4b4f2bb7-5
0.387
ALP-POS-6f6ae286-2
0.387
PET-UNK-407a74a5-11
0.387
MAT-POS-22373164-4
0.386
PET-UNK-03fd2068-1
0.386
PET-UNK-6da3dcd8-14
0.385
EDJ-MED-378a25ea-18
0.385
PET-UNK-b566c0b0-9
0.384
ALP-POS-d7944b10-5
0.383
BEN-DND-a88ffd65-6
0.383
MAT-POS-22373164-2
0.382
PET-UNK-6da3dcd8-15
0.382
PET-UNK-6e612674-5
0.380
PET-UNK-6e612674-13
0.380
PET-UNK-bcc8fd08-3
0.380
ALP-POS-6f6ae286-1
0.379
PET-UNK-7279c968-5
0.379
PET-UNK-03fd2068-11
0.379
PET-UNK-5d7c542f-1
0.378
ALP-POS-6f6ae286-3
0.378
EDG-MED-b8f93667-1
0.378
PET-UNK-2337ec19-1
0.378
PET-UNK-2337ec19-3
0.378
MAT-POS-c7726e07-7
0.377
MAT-POS-c7726e07-8
0.377
EDJ-MED-be9e6f63-1
0.377
EDJ-MED-378a25ea-25
0.377
EDJ-MED-be9e6f63-3
0.377
EDJ-MED-c3ea9889-6
0.376
PET-UNK-407a74a5-18
0.376
PET-UNK-407a74a5-17
0.376
PET-UNK-03fd2068-8
0.375
PET-UNK-407a74a5-12
0.375
EDJ-MED-378a25ea-1
0.374
PET-UNK-bcc8fd08-6
0.373
JOH-UNI-06d7cc04-1
0.373
ALP-POS-bb8a3193-2
0.372