Molecular Properties | |
SMILES: | CN(c1ccc2c(NC(=O)C3CNS(=O)(=O)c4ccc(Cl)cc43)cncc2c1)S(C)(=O)=O |
MW: | 494.05 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 125.54 |
cLogP: | 2.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
ALP-POS-1cbc2fae-1
EDJ-MED-f9b78f78-1
0.736
EDJ-MED-f9b78f78-5
0.724
EDJ-MED-94fddcec-1
0.684
MAT-POS-af1eef35-3
0.656
BEN-DND-d6f8d3c6-1
0.656
EDJ-MED-e18764cb-2
0.656
ALP-POS-a577c8a2-1
0.656
EDJ-MED-d9f3798e-2
0.634
EDJ-MED-f9b78f78-3
0.576
EDJ-MED-f9b78f78-6
0.570
PET-UNK-09a29654-1
0.537
MAT-POS-b4d6b7fc-4
0.535
MAT-POS-b4d6b7fc-3
0.535
MIK-UNK-58cd43d0-1
0.524
ALP-POS-4483ae88-4
0.524
MIK-UNK-78dbf1b8-1
0.524
PET-UNK-e9bc7c59-1
0.523
MAT-POS-22373164-1
0.521
MAT-POS-90fd5f68-10
0.510
EDJ-MED-70ab3faf-3
0.509
EDJ-MED-211392e3-3
0.496
EDJ-MED-93390d0c-2
0.495
PET-UNK-09a29654-3
0.482
PET-UNK-e9bc7c59-3
0.482
PET-UNK-329a9ce9-2
0.473
EDG-MED-f9979214-1
0.468
PET-UNK-b78139fa-5
0.467
BEN-DND-f06bfa8e-5
0.466
EDJ-MED-b7309adf-2
0.466
EDG-MED-f9979214-2
0.459
ALP-POS-6f6ae286-7
0.459
PET-UNK-b78139fa-6
0.457
ERI-UCB-b3e6b0c2-11
0.454
BEN-DND-11faade0-1
0.451
ERI-UCB-8d4e5055-3
0.450
MAT-POS-7ddaf7de-2
0.450
BEN-DND-0ac71396-2
0.446
BEN-DND-0ac71396-1
0.445
PET-UNK-7bb24635-4
0.441
EDJ-MED-b7309adf-1
0.440
PET-UNK-2c6614b6-5
0.440
MAT-POS-86c60949-1
0.440
PET-UNK-7279c968-5
0.440
ALP-POS-6f6ae286-1
0.440
PET-UNK-329a9ce9-4
0.440
PET-UNK-e9bc7c59-4
0.440
ERI-UCB-b3e6b0c2-16
0.439
JAG-UCB-571deb56-4
0.435
PET-UNK-7bb24635-5
0.434
PET-UNK-b78139fa-3
0.432
PET-UNK-2c6614b6-7
0.431
PET-UNK-09a29654-2
0.431
EDJ-MED-93390d0c-1
0.429
TET-ENA-382364b7-1
0.429
PET-UNK-b78139fa-9
0.429
MAR-UCB-6ab2ec87-1
0.429
PET-UNK-7279c968-9
0.429
PET-UNK-022eab87-1
0.429
PET-UNK-fe31e24a-2
0.429
PET-UNK-7bb24635-6
0.425
PET-UNK-e9bc7c59-2
0.422
PET-UNK-b78139fa-2
0.420
JAG-UCB-571deb56-2
0.417
PET-UNK-b78139fa-7
0.417
EDJ-MED-827e7cb4-1
0.416
EDJ-MED-d9f3798e-3
0.414
PET-UNK-2c6614b6-3
0.412
PET-UNK-03fd2068-4
0.412
PET-UNK-7279c968-7
0.412
JAG-UCB-571deb56-6
0.412
MAT-POS-37ffad05-1
0.411
PET-UNK-1e13ef09-1
0.411
MAT-POS-1ecf5680-1
0.409
PET-UNK-b38839dc-17
0.409
LUO-POS-868e8996-14
0.407
MAT-POS-66a736cf-1
0.407
MIC-UNK-91acba05-3
0.407
LUO-POS-868e8996-13
0.407
EDJ-MED-41558c53-10
0.407
ALP-POS-a577c8a2-2
0.405
PET-UNK-b38839dc-16
0.405
MIC-UNK-91acba05-1
0.404
ROB-UNI-322e8f70-3
0.404
MAT-POS-865c3497-1
0.404
PET-UNK-2c6614b6-9
0.404
MAT-POS-22e8b45a-1
0.404
MAT-POS-865c3497-2
0.404
PET-UNK-b78139fa-8
0.404
JAG-UCB-571deb56-1
0.403
EDJ-MED-d9f3798e-1
0.402
EDJ-MED-d165ed91-5
0.402
EDJ-MED-d165ed91-6
0.402
PET-UNK-e9bc7c59-6
0.400
PET-UNK-2c6614b6-2
0.400
PET-UNK-b38839dc-14
0.400
EDJ-MED-ede277f6-2
0.397
EDJ-MED-ede277f6-12
0.397
PET-UNK-ff046148-4
0.397
PET-UNK-b38839dc-13
0.397
PET-UNK-7279c968-8
0.397