Molecular Properties | |
SMILES: | Cn1ccc2cncc(NC(=O)[C@@H]3CCS(=O)(=O)c4ccc(Cl)cc43)c21 |
MW: | 389.06 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 81.06 |
cLogP: | 3.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-b78139fa-4
0.726
PET-UNK-2c6614b6-1
0.724
EDJ-MED-94fddcec-3
0.633
BEN-DND-f06bfa8e-5
0.625
EDJ-MED-b7309adf-2
0.625
MIC-UNK-91acba05-3
0.618
MAT-POS-66a736cf-1
0.618
LUO-POS-868e8996-14
0.618
LUO-POS-868e8996-13
0.618
PET-UNK-2c6614b6-9
0.611
PET-UNK-e274cad4-7
0.604
PET-UNK-b1ef24dc-13
0.604
EDJ-MED-94fddcec-2
0.602
PET-UNK-2c6614b6-6
0.598
PET-UNK-2c6614b6-8
0.598
PET-UNK-b1ef24dc-14
0.591
PET-UNK-2c6614b6-7
0.591
ALP-POS-6f6ae286-7
0.589
EDG-MED-f9979214-2
0.589
MAT-POS-86c60949-1
0.585
EDJ-MED-b7309adf-1
0.585
PET-UNK-2c6614b6-5
0.585
PET-UNK-7bb24635-4
0.583
EDJ-MED-93390d0c-1
0.583
EDJ-MED-93390d0c-2
0.583
PET-UNK-e274cad4-9
0.581
PET-UNK-2c6614b6-2
0.577
PET-UNK-2c6614b6-3
0.577
PET-UNK-7bb24635-6
0.577
BEN-DND-0ac71396-1
0.573
PET-UNK-b38839dc-17
0.571
PET-UNK-7bb24635-5
0.571
PET-UNK-b1ef24dc-16
0.570
PET-UNK-b38839dc-16
0.566
EDG-MED-f9979214-1
0.566
EDJ-MED-d9f3798e-3
0.560
PET-UNK-e274cad4-10
0.558
BEN-DND-0ac71396-2
0.556
EDJ-MED-94fddcec-1
0.554
PET-UNK-b38839dc-15
0.553
PET-UNK-09a29654-2
0.549
PET-UNK-09a29654-1
0.549
PET-UNK-09a29654-3
0.548
PET-UNK-7f7e354d-3
0.547
PET-UNK-b1ef24dc-15
0.547
PET-UNK-158bee2a-12
0.540
EDJ-MED-dd2a8363-2
0.537
PET-UNK-158bee2a-11
0.522
PET-UNK-e274cad4-8
0.520
PET-UNK-158bee2a-10
0.517
PET-UNK-b78139fa-1
0.515
PET-UNK-4b4f2bb7-4
0.495
PET-UNK-b78139fa-13
0.485
PET-UNK-158bee2a-9
0.464
MIC-UNK-8758c41d-1
0.440
PET-UNK-e274cad4-6
0.435
PET-UNK-022eab87-1
0.434
PET-UNK-064639eb-4
0.429
PET-UNK-064639eb-1
0.429
PET-UNK-b1ef24dc-21
0.426
PET-UNK-c761fc18-8
0.425
PET-UNK-e274cad4-2
0.423
ALP-POS-a577c8a2-2
0.423
PET-UNK-b78139fa-7
0.422
PET-UNK-b78139fa-8
0.422
PET-UNK-b78139fa-9
0.420
BEN-DND-f06bfa8e-4
0.419
PET-UNK-b1ef24dc-22
0.412
PET-UNK-b78139fa-2
0.411
PET-UNK-b78139fa-3
0.411
PET-UNK-e274cad4-4
0.410
PET-UNK-b78139fa-6
0.408
PET-UNK-c761fc18-5
0.406
PET-UNK-b78139fa-5
0.404
MAT-POS-2bb0cf2b-2
0.402
EDJ-MED-fb4b7746-1
0.402
PET-UNK-b1ef24dc-24
0.398
PET-UNK-e274cad4-5
0.389
PET-UNK-7279c968-1
0.383
EDJ-MED-f9b78f78-3
0.383
EDG-MED-0e5afe9d-1
0.382
EDJ-MED-fb4b7746-4
0.382
PET-UNK-b1ef24dc-23
0.381
EDJ-MED-f9b78f78-5
0.379
RAL-THA-8416115c-2
0.377
MIC-UNK-91acba05-6
0.377
EDG-MED-5d232de5-6
0.377
EDJ-MED-e18764cb-2
0.377
ALP-POS-a577c8a2-1
0.377
EDG-MED-5d232de5-5
0.377
BEN-DND-d6f8d3c6-1
0.377
MAT-POS-af1eef35-3
0.377
DAR-DIA-0f2f46c9-12
0.377
PET-UNK-c761fc18-7
0.376
PET-UNK-c761fc18-6
0.375
DAR-DIA-0f2f46c9-10
0.374
DAR-DIA-0f2f46c9-5
0.370
DAR-DIA-0f2f46c9-4
0.370
DAR-DIA-0f2f46c9-6
0.370
DAR-DIA-0f2f46c9-8
0.369