Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccc(NS(C)(=O)=O)c(C)c23)C1 |
MW: | 515.14 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 120.5 |
cLogP: | 2.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-13080fc6-6
0.705
MIC-UNK-51049f1a-4
0.696
EDJ-MED-0186a59b-4
0.696
MAT-POS-2e8b2191-10
0.673
PET-UNK-c6bcc80b-2
0.667
MAT-POS-b4d6b7fc-1
0.667
PET-UNK-c6bcc80b-9
0.667
MAT-POS-13080fc6-1
0.664
MIC-UNK-51049f1a-3
0.664
MAT-POS-13080fc6-2
0.633
MAT-POS-8293a91a-4
0.631
MAT-POS-8293a91a-5
0.631
MAT-POS-4223bc15-23
0.631
EDJ-MED-4f4dd660-1
0.631
EDJ-MED-7889e8da-3
0.625
EDJ-MED-0186a59b-2
0.625
EDJ-MED-7889e8da-5
0.624
EDJ-MED-0186a59b-3
0.624
EDJ-MED-4f4dd660-3
0.619
MAT-POS-b4d6b7fc-3
0.611
EDJ-MED-4f4dd660-5
0.600
ALP-POS-1460fd94-1
0.598
ALP-POS-6f6ae286-5
0.596
BEN-DND-f06bfa8e-2
0.596
EDJ-MED-0186a59b-1
0.596
EDJ-MED-7889e8da-1
0.596
MAT-POS-97ec4bd1-3
0.595
EDJ-MED-ede277f6-5
0.575
EDJ-MED-ede277f6-9
0.566
JOH-UNI-ededfdb6-2
0.541
JOH-UNI-ededfdb6-4
0.532
JOH-UNI-ededfdb6-1
0.531
EDJ-MED-d1555997-2
0.528
RAL-THA-ee48ba5f-5
0.527
MAT-POS-5cd9ea36-15
0.526
MAT-POS-4223bc15-21
0.523
EDJ-MED-c40d95bc-2
0.523
MAT-POS-4223bc15-25
0.523
JOH-UNI-ededfdb6-9
0.522
ROB-CAM-4c532489-1
0.518
MAT-POS-4223bc15-24
0.518
MAT-POS-4223bc15-22
0.518
MAT-POS-5cd9ea36-13
0.518
EDJ-MED-c82a5324-3
0.517
EDJ-MED-ede277f6-8
0.517
EDJ-MED-ede277f6-6
0.517
EDJ-MED-fb79a796-1
0.514
JOH-UNI-ededfdb6-6
0.513
NIR-WEI-dcc3321b-6
0.513
EDJ-MED-c82a5324-2
0.504
JOH-UNI-d2a12aa9-1
0.500
EDJ-MED-fa7708b3-1
0.496
RAL-THA-ee48ba5f-1
0.496
JOH-UNI-d2a12aa9-3
0.492
EDJ-MED-ede277f6-4
0.492
EDJ-MED-009f762b-5
0.491
EDJ-MED-d1555997-1
0.491
EDJ-MED-ede277f6-7
0.483
RAL-THA-ee48ba5f-4
0.482
MAT-POS-81ae2990-2
0.479
RAL-THA-ee48ba5f-2
0.479
EDJ-MED-e9a22d5d-1
0.478
NIR-WEI-dcc3321b-1
0.477
MAT-POS-81ae2990-8
0.475
MIC-UNK-482af05e-2
0.474
EDJ-MED-12c4873b-3
0.474
MAT-POS-4223bc15-27
0.474
MAT-POS-61f37a1a-12
0.469
PET-UNK-162c14b2-1
0.469
MAT-UNK-f490e871-1
0.466
MAT-UNK-04ae9652-1
0.466
MAT-POS-4223bc15-1
0.465
MAT-POS-dd3ad2b5-4
0.464
MAT-POS-24589f88-2
0.464
MAT-POS-24589f88-3
0.464
MAT-POS-13080fc6-3
0.464
EDJ-MED-c40d95bc-1
0.463
NIR-WEI-dcc3321b-4
0.462
MAT-POS-4223bc15-28
0.462
MAT-POS-4223bc15-26
0.461
MAT-POS-81ae2990-5
0.460
MAT-POS-81ae2990-1
0.459
RAL-THA-ee48ba5f-3
0.459
JOH-UNI-ededfdb6-3
0.458
RAL-THA-ee48ba5f-6
0.458
CLI-TLC-36f34aa2-1
0.458
MAT-UNK-35705829-1
0.458
NIR-WEI-dcc3321b-5
0.457
MAT-POS-81ae2990-7
0.455
MAT-POS-b4d6b7fc-8
0.455
MIC-UNK-482af05e-1
0.453
RAL-THA-6e4c80cf-2
0.453
MAT-POS-4223bc15-20
0.453
MAT-POS-4223bc15-6
0.452
MAT-POS-4223bc15-19
0.451
RAL-THA-6e4c80cf-1
0.451
MAT-POS-e119ab4f-3
0.450
PET-UNK-c6bcc80b-1
0.450
PET-UNK-c6bcc80b-8
0.450
MAT-POS-4223bc15-2
0.448