Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1CS(=O)(=O)Cc2ccc(Cl)cc21 |
MW: | 386.05 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 76.13 |
cLogP: | 3.54 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
PET-UNK-e274cad4-10
PET-UNK-e274cad4-5
PET-UNK-e274cad4-3
PET-UNK-e274cad4-1
PET-UNK-e274cad4-8
PET-UNK-e274cad4-7
PET-UNK-e274cad4-2
PET-UNK-e274cad4-9
PET-UNK-e274cad4-6
PET-UNK-e274cad4-4
PET-UNK-022eab87-1
PET-UNK-022eab87-2
PET-UNK-1e13ef09-5
PET-UNK-1e13ef09-6
PET-UNK-1e13ef09-4
PET-UNK-1e13ef09-3
PET-UNK-1e13ef09-2
PET-UNK-1e13ef09-1
PET-UNK-329a9ce9-7
PET-UNK-329a9ce9-6
PET-UNK-329a9ce9-5
PET-UNK-329a9ce9-4
PET-UNK-329a9ce9-3
PET-UNK-329a9ce9-2
PET-UNK-329a9ce9-1
PET-UNK-329a9ce9-8
PET-UNK-407a74a5-18
PET-UNK-407a74a5-16
PET-UNK-407a74a5-15
PET-UNK-407a74a5-14
PET-UNK-407a74a5-13
PET-UNK-407a74a5-10
PET-UNK-407a74a5-9
PET-UNK-407a74a5-8
PET-UNK-407a74a5-6
PET-UNK-407a74a5-4
PET-UNK-407a74a5-3
PET-UNK-407a74a5-2
PET-UNK-407a74a5-1
PET-UNK-407a74a5-17
PET-UNK-407a74a5-12
PET-UNK-407a74a5-11
PET-UNK-407a74a5-7
PET-UNK-407a74a5-5
PET-UNK-1b92fa34-2
0.738
PET-UNK-1e13ef09-5
0.735
PET-UNK-1e13ef09-1
0.721
PET-UNK-1e13ef09-6
0.718
PET-UNK-1b92fa34-3
0.690
ALP-POS-e6e0c683-4
0.678
PET-UNK-1e13ef09-2
0.678
PET-UNK-329a9ce9-1
0.656
PET-UNK-329a9ce9-2
0.649
PET-UNK-1e13ef09-4
0.634
PET-UNK-1e13ef09-3
0.634
PET-UNK-022eab87-1
0.628
PET-UNK-b1ef24dc-19
0.622
PET-UNK-b1ef24dc-20
0.622
MIC-UNK-91acba05-4
0.614
ALP-POS-477dc5b7-1
0.614
MAT-POS-3ccb8ef6-1
0.614
BEN-DND-f2e727cd-4
0.614
BEN-DND-f2e727cd-5
0.614
MAT-POS-3ccb8ef6-2
0.614
MAT-POS-d8472c4f-5
0.614
ALP-UNI-c3ef0aba-2
0.614
BEN-DND-f2e727cd-6
0.611
MAT-POS-dd3ad2b5-1
0.611
PET-UNK-b1ef24dc-17
0.611
PET-UNK-b1ef24dc-18
0.611
PET-UNK-329a9ce9-3
0.608
PET-UNK-e274cad4-10
0.604
PET-UNK-329a9ce9-4
0.602
PET-UNK-c0891748-10
0.600
ROB-UNI-322e8f70-2
0.600
PET-UNK-c0891748-4
0.600
PET-UNK-e274cad4-5
0.591
MAT-POS-4223bc15-19
0.581
PET-UNK-9b23ef84-2
0.581
MAT-POS-24589f88-3
0.581
MAT-POS-dd3ad2b5-3
0.581
RAL-THA-6e4c80cf-1
0.581
MAT-POS-dd3ad2b5-2
0.581
MAT-POS-dd3ad2b5-4
0.581
MAT-POS-24589f88-2
0.581
MAT-POS-dd3ad2b5-5
0.579
MAR-UCB-6ab2ec87-1
0.573
MAT-POS-bf364d7a-4
0.569
MAT-POS-bf364d7a-3
0.569
EDJ-MED-4fff0a85-4
0.569
EDJ-MED-c40d95bc-2
0.568
MAT-POS-4223bc15-18
0.568
MAT-POS-4223bc15-21
0.568
MAT-POS-4223bc15-25
0.568
MAT-POS-61f37a1a-12
0.568
PET-UNK-162c14b2-1
0.568
MAT-POS-4223bc15-1
0.562
MAT-POS-4223bc15-3
0.562
MAT-POS-4223bc15-6
0.562
MAT-POS-4223bc15-17
0.562
EDJ-MED-e9a22d5d-1
0.562
MIC-UNK-482af05e-1
0.561
MAT-POS-4223bc15-22
0.561
LUO-POS-868e8996-14
0.560
LUO-POS-868e8996-13
0.560
MIC-UNK-91acba05-3
0.560
MAT-POS-66a736cf-1
0.560
MAT-UNK-04ae9652-1
0.560
EDJ-MED-12c4873b-3
0.557
MAT-POS-4223bc15-26
0.557
MAT-POS-4223bc15-2
0.557
MAT-POS-4223bc15-23
0.557
PET-UNK-d61f3ea6-2
0.557
MIC-UNK-482af05e-2
0.557
MAT-POS-8293a91a-4
0.557
RAL-THA-ee48ba5f-5
0.557
MAT-POS-4223bc15-27
0.557
MAT-POS-8293a91a-5
0.557
MAT-POS-4223bc15-15
0.556
MAT-POS-5cd9ea36-2
0.556
BRU-THA-98e973b9-1
0.551
MAT-POS-4223bc15-35
0.551
BRU-THA-d60fe444-1
0.551
MAT-POS-4223bc15-13
0.551
RAL-THA-ee48ba5f-4
0.551
MAT-POS-f7918075-2
0.551
MAT-POS-bbbbc21a-2
0.551
EDJ-MED-12c115cc-1
0.551
EDJ-MED-12c115cc-2
0.551
MAT-UNK-35705829-1
0.550
EDJ-MED-12c4873b-1
0.550
BEN-DND-32596b04-8
0.549
EDJ-MED-e18764cb-2
0.548
BEN-DND-d6f8d3c6-1
0.548
MAT-POS-af1eef35-3
0.548
ALP-POS-a577c8a2-1
0.548
CLI-TLC-3a13eaf2-1
0.545
MAT-POS-4223bc15-20
0.545
RAL-THA-6e4c80cf-2
0.545
MAT-POS-4223bc15-24
0.545
EDJ-MED-1981ceba-2
0.545
BEN-DND-32596b04-7
0.545
MAT-UNK-f490e871-1
0.545
MAT-POS-5cd9ea36-3
0.545