Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3cc(S(C)(=O)=O)cc(C)c23)C1 |
MW: | 500.13 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 108.47 |
cLogP: | 2.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-13080fc6-5
0.705
MAT-POS-13080fc6-3
0.673
EDJ-MED-7889e8da-5
0.664
EDJ-MED-0186a59b-3
0.664
MIC-UNK-51049f1a-4
0.657
EDJ-MED-0186a59b-4
0.657
MAT-POS-2e8b2191-10
0.636
MAT-POS-13080fc6-4
0.636
MAT-POS-b4d6b7fc-1
0.631
PET-UNK-c6bcc80b-9
0.631
PET-UNK-c6bcc80b-2
0.631
MIC-UNK-51049f1a-3
0.627
MAT-POS-8293a91a-5
0.625
MAT-POS-4223bc15-23
0.625
MAT-POS-8293a91a-4
0.625
MAT-POS-b4d6b7fc-3
0.619
EDJ-MED-7889e8da-3
0.619
EDJ-MED-0186a59b-2
0.619
MAT-POS-97ec4bd1-3
0.618
EDJ-MED-4f4dd660-1
0.611
EDJ-MED-4f4dd660-3
0.600
EDJ-MED-4f4dd660-5
0.595
ALP-POS-1460fd94-1
0.593
ALP-POS-6f6ae286-5
0.591
EDJ-MED-0186a59b-1
0.591
EDJ-MED-7889e8da-1
0.591
BEN-DND-f06bfa8e-2
0.591
EDJ-MED-d1555997-2
0.551
EDJ-MED-ede277f6-6
0.551
EDJ-MED-ede277f6-8
0.551
EDJ-MED-ede277f6-5
0.543
EDJ-MED-ede277f6-9
0.534
JOH-UNI-ededfdb6-4
0.527
MAT-POS-4223bc15-24
0.527
JOH-UNI-ededfdb6-1
0.526
JOH-UNI-ededfdb6-2
0.522
MAT-POS-5cd9ea36-15
0.522
MAT-POS-4223bc15-21
0.518
MAT-POS-4223bc15-25
0.518
EDJ-MED-c40d95bc-2
0.518
JOH-UNI-ededfdb6-9
0.518
MAT-POS-4223bc15-22
0.513
EDJ-MED-009f762b-5
0.513
MAT-POS-5cd9ea36-13
0.513
EDJ-MED-c82a5324-3
0.513
RAL-THA-ee48ba5f-5
0.509
NIR-WEI-dcc3321b-6
0.508
FRA-DIA-6238d354-2
0.500
ROB-CAM-4c532489-1
0.500
EDJ-MED-c82a5324-2
0.500
JOH-UNI-ededfdb6-6
0.496
EDJ-MED-fb79a796-1
0.495
EDJ-MED-fa7708b3-1
0.491
RAL-THA-ee48ba5f-1
0.491
EDJ-MED-ede277f6-4
0.488
MAT-POS-81ae2990-2
0.488
RAL-THA-ee48ba5f-2
0.487
EDJ-MED-d1555997-1
0.487
MAT-POS-24589f88-2
0.486
MAT-POS-24589f88-3
0.486
MAT-POS-dd3ad2b5-4
0.486
MAT-POS-81ae2990-8
0.484
MAT-POS-4223bc15-27
0.482
RAL-THA-ee48ba5f-3
0.479
EDJ-MED-ede277f6-7
0.479
RAL-THA-ee48ba5f-4
0.478
EDJ-MED-e9a22d5d-1
0.474
MAT-POS-13080fc6-1
0.472
EDJ-MED-c40d95bc-1
0.472
MAT-POS-4223bc15-28
0.470
MAT-POS-4223bc15-26
0.470
MAT-POS-81ae2990-5
0.468
EDJ-MED-fa7708b3-3
0.467
PET-UNK-162c14b2-1
0.465
PET-UNK-03fd2068-3
0.465
MAT-POS-61f37a1a-12
0.465
EDJ-MED-378a25ea-10
0.464
MAT-UNK-f490e871-1
0.462
MAT-UNK-04ae9652-1
0.462
NIR-WEI-dcc3321b-1
0.462
MAT-POS-4223bc15-6
0.461
MAT-POS-4223bc15-1
0.461
PET-UNK-e274cad4-8
0.460
PET-UNK-5ba9a1cb-1
0.459
MAT-POS-e119ab4f-3
0.458
NIR-WEI-dcc3321b-4
0.458
EDJ-MED-12c4873b-3
0.457
MIC-UNK-482af05e-2
0.457
MAT-POS-4223bc15-2
0.457
RAL-THA-ee48ba5f-6
0.455
CLI-TLC-36f34aa2-1
0.455
NIR-WEI-dcc3321b-5
0.454
MAT-POS-4223bc15-29
0.454
MAT-UNK-35705829-1
0.454
PET-UNK-162c14b2-2
0.453
PET-UNK-e274cad4-3
0.452
EDJ-MED-009f762b-4
0.452
MAT-POS-61f37a1a-13
0.452
PET-UNK-5ba9a1cb-2
0.451
ALF-EVA-0e90125c-9
0.451