Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cnoc23)CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 407.03 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 111.39 |
cLogP: | 2.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-ab76d8f6-3
0.656
PET-UNK-ab76d8f6-4
0.656
PET-UNK-4b4f2bb7-1
0.642
PET-UNK-4b4f2bb7-9
0.638
MIC-UNK-ea4eb352-1
0.638
EDJ-MED-211392e3-1
0.638
PET-UNK-4b4f2bb7-4
0.638
PET-UNK-b38839dc-30
0.638
PET-UNK-0df12184-4
0.634
PET-UNK-4b4f2bb7-6
0.632
PET-UNK-4b4f2bb7-8
0.632
PET-UNK-4b4f2bb7-7
0.625
PET-UNK-7bb24635-3
0.622
PET-UNK-4b4f2bb7-5
0.619
ALP-POS-6f6ae286-2
0.619
PET-UNK-4b4f2bb7-3
0.612
PET-UNK-4b4f2bb7-2
0.606
PET-UNK-7bb24635-1
0.606
EDJ-MED-211392e3-2
0.600
PET-UNK-ab76d8f6-1
0.600
PET-UNK-7bb24635-2
0.594
PET-UNK-ab76d8f6-6
0.594
PET-UNK-ab76d8f6-2
0.588
EDJ-MED-211392e3-3
0.577
PET-UNK-09a29654-5
0.571
PET-UNK-09a29654-4
0.571
PET-UNK-09a29654-6
0.556
PET-UNK-c65ea24c-17
0.545
PET-UNK-c65ea24c-5
0.539
PET-UNK-c65ea24c-11
0.514
PET-UNK-b78139fa-10
0.505
PET-UNK-b78139fa-13
0.500
PET-UNK-b78139fa-18
0.490
PET-UNK-022eab87-2
0.490
PET-UNK-b1ef24dc-13
0.490
PET-UNK-ad758083-5
0.486
PET-UNK-b78139fa-14
0.485
PET-UNK-b78139fa-16
0.485
PET-UNK-b78139fa-17
0.485
PET-UNK-b78139fa-15
0.480
PET-UNK-b78139fa-12
0.471
PET-UNK-b1ef24dc-21
0.470
MIC-UNK-ea4eb352-9
0.467
PET-UNK-b78139fa-11
0.467
MAR-UCB-fd2e172f-25
0.462
MIC-UNK-ea4eb352-5
0.462
PET-UNK-0d6841fa-5
0.460
EDJ-MED-70ab3faf-1
0.429
PET-UNK-b1ef24dc-1
0.421
PET-UNK-6e612674-6
0.417
PET-UNK-6e612674-14
0.417
PET-UNK-b1ef24dc-17
0.415
PET-UNK-407a74a5-1
0.413
PET-UNK-6e612674-2
0.411
PET-UNK-6e612674-10
0.411
PET-UNK-1abb40f2-2
0.409
PET-UNK-1abb40f2-4
0.409
PET-UNK-6e612674-5
0.407
PET-UNK-6e612674-13
0.407
EDJ-MED-70ab3faf-2
0.405
PET-UNK-1abb40f2-3
0.404
PET-UNK-1abb40f2-1
0.404
PET-UNK-0df12184-3
0.404
PET-UNK-6e612674-1
0.402
PET-UNK-6e612674-9
0.402
PET-UNK-407a74a5-11
0.402
EDJ-MED-70ab3faf-3
0.400
MAR-UCB-fd2e172f-20
0.400
PET-UNK-b1ef24dc-5
0.400
PET-UNK-ee8352fa-3
0.398
PET-UNK-0df12184-2
0.398
PET-UNK-407a74a5-6
0.398
PET-UNK-b1ef24dc-9
0.396
PET-UNK-407a74a5-16
0.391
PET-UNK-b1ef24dc-33
0.391
PET-UNK-b1ef24dc-25
0.391
MAR-UCB-fd2e172f-21
0.389
PET-UNK-6e612674-7
0.388
PET-UNK-6e612674-15
0.388
JOH-UNI-6e27fddc-1
0.387
PET-UNK-c761fc18-1
0.387
PET-UNK-c0891748-3
0.387
PET-UNK-c0891748-9
0.387
MAR-UCB-fd2e172f-41
0.385
PET-UNK-b38839dc-18
0.385
PET-UNK-6e612674-3
0.383
PET-UNK-6e612674-11
0.383
EDJ-MED-d08626de-1
0.382
EDJ-MED-d08626de-2
0.382
PET-UNK-29afea89-2
0.382
EDG-MED-0e5afe9d-3
0.382
PET-UNK-c761fc18-5
0.382
ALP-POS-6f6ae286-3
0.381
PET-UNK-5d7c542f-1
0.381
MAT-POS-a5ef2d74-2
0.378
MAT-POS-a5ef2d74-3
0.378
PET-UNK-f4e47ebd-17
0.378
EDJ-MED-611d11e7-4
0.378
EDJ-MED-611d11e7-10
0.378
MAT-POS-ec6d90b7-4
0.378