Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccc(F)cc23)CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 434.05 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.36 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-4b4f2bb7-7
0.784
EDJ-MED-211392e3-1
0.782
MIC-UNK-ea4eb352-1
0.782
PET-UNK-7bb24635-1
0.778
PET-UNK-b78139fa-16
0.776
ALP-POS-6f6ae286-2
0.775
PET-UNK-4b4f2bb7-5
0.775
PET-UNK-4b4f2bb7-8
0.733
PET-UNK-09a29654-4
0.729
PET-UNK-7bb24635-2
0.723
PET-UNK-4b4f2bb7-9
0.703
PET-UNK-7bb24635-3
0.702
PET-UNK-4b4f2bb7-2
0.702
PET-UNK-ab76d8f6-1
0.695
PET-UNK-09a29654-5
0.694
PET-UNK-4b4f2bb7-3
0.674
PET-UNK-09a29654-6
0.673
PET-UNK-ab76d8f6-3
0.667
EDJ-MED-211392e3-2
0.660
PET-UNK-ab76d8f6-6
0.656
PET-UNK-b38839dc-30
0.649
PET-UNK-ab76d8f6-2
0.649
EDJ-MED-211392e3-3
0.634
PET-UNK-4b4f2bb7-4
0.632
PET-UNK-ab76d8f6-5
0.632
PET-UNK-ab76d8f6-4
0.632
MAT-POS-a5ef2d74-2
0.621
EDJ-MED-611d11e7-4
0.621
MAT-POS-ec6d90b7-4
0.621
PET-UNK-4b4f2bb7-1
0.619
PET-UNK-b78139fa-14
0.604
PET-UNK-b78139fa-15
0.600
PET-UNK-ad758083-5
0.598
MIC-UNK-ea4eb352-9
0.596
PET-UNK-022eab87-2
0.596
PET-UNK-1b92fa34-6
0.582
MIC-UNK-ea4eb352-5
0.577
PET-UNK-0d6841fa-5
0.566
PET-UNK-03fd2068-7
0.560
PET-UNK-b78139fa-17
0.557
MAT-POS-c88128cb-12
0.550
PET-UNK-9bf1291a-2
0.545
PET-UNK-b78139fa-11
0.535
PET-UNK-1b92fa34-8
0.534
PET-UNK-b78139fa-18
0.531
EDJ-MED-923a35c2-5
0.529
EDJ-MED-841e0cf0-3
0.529
EDJ-MED-670ad2ee-3
0.529
PET-UNK-9bf1291a-4
0.528
EDJ-MED-70ab3faf-1
0.525
PET-UNK-6e612674-1
0.519
PET-UNK-6e612674-9
0.519
PET-UNK-1abb40f2-3
0.510
PET-UNK-b78139fa-12
0.510
PET-UNK-1abb40f2-1
0.510
PET-UNK-6e612674-5
0.509
PET-UNK-6e612674-13
0.509
PET-UNK-b566c0b0-8
0.509
PET-UNK-407a74a5-6
0.505
PET-UNK-407a74a5-1
0.505
PET-UNK-407a74a5-11
0.505
PET-UNK-1abb40f2-2
0.500
PET-UNK-1abb40f2-4
0.500
PET-UNK-bcc8fd08-2
0.495
PET-UNK-407a74a5-16
0.495
PET-UNK-2c6614b6-6
0.495
ALF-EVA-82cf4849-4
0.490
PET-UNK-03fd2068-10
0.486
ALP-POS-93b3621f-3
0.481
EDJ-MED-611d11e7-7
0.481
PET-UNK-ee8352fa-1
0.481
PET-UNK-5d7c542f-1
0.481
ALP-POS-6f6ae286-3
0.481
MAT-POS-24589f88-1
0.481
MAT-POS-96f51285-1
0.481
PET-UNK-b78139fa-13
0.480
MIC-UNK-54748b58-2
0.477
EDJ-MED-611d11e7-1
0.477
MAT-POS-96f51285-2
0.477
ALF-EVA-82cf4849-11
0.473
EDJ-MED-d08626de-1
0.471
PET-UNK-29afea89-2
0.471
EDG-MED-0e5afe9d-3
0.471
PET-UNK-b78139fa-10
0.471
EDJ-MED-d08626de-2
0.471
EDJ-MED-b2a1399d-3
0.470
PET-UNK-49566573-3
0.469
PET-UNK-bcc8fd08-5
0.468
ALF-EVA-82cf4849-8
0.464
PET-UNK-c0891748-3
0.462
PET-UNK-c0891748-9
0.462
PET-UNK-6e612674-10
0.462
MIC-UNK-ea4eb352-4
0.462
PET-UNK-6e612674-2
0.462
PET-UNK-b78139fa-7
0.461
PET-UNK-5ad1c31a-3
0.460
PET-UNK-5ad1c31a-4
0.460
PET-UNK-5ad1c31a-9
0.460
PET-UNK-5ad1c31a-10
0.460
PET-UNK-a7639856-1
0.459