Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3cc(N(C)S(C)(=O)=O)ccc23)C1 |
MW: | 515.14 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 111.71 |
cLogP: | 2.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-0186a59b-2
0.765
EDJ-MED-7889e8da-3
0.765
EDJ-MED-7889e8da-5
0.757
EDJ-MED-0186a59b-3
0.757
MAT-POS-b4d6b7fc-1
0.736
EDJ-MED-4f4dd660-3
0.731
EDJ-MED-4f4dd660-1
0.729
EDJ-MED-0186a59b-1
0.728
EDJ-MED-7889e8da-1
0.728
BEN-DND-f06bfa8e-2
0.728
ALP-POS-6f6ae286-5
0.728
EDJ-MED-4f4dd660-5
0.725
MAT-POS-8293a91a-5
0.703
MAT-POS-4223bc15-23
0.703
MAT-POS-8293a91a-4
0.703
ALP-POS-1460fd94-1
0.694
MAT-POS-22373164-1
0.688
PET-UNK-c6bcc80b-9
0.673
PET-UNK-c6bcc80b-2
0.673
MAT-POS-2e8b2191-10
0.649
MAT-POS-b4d6b7fc-4
0.646
EDJ-MED-ede277f6-6
0.632
EDJ-MED-ede277f6-8
0.632
MAT-POS-4223bc15-24
0.626
MAT-POS-13080fc6-6
0.619
MAT-POS-97ec4bd1-3
0.616
MAT-POS-13080fc6-5
0.611
MIC-UNK-51049f1a-4
0.609
EDJ-MED-ede277f6-4
0.605
EDJ-MED-ede277f6-7
0.596
EDJ-MED-0186a59b-4
0.595
JOH-UNI-ededfdb6-1
0.595
MAT-POS-5cd9ea36-15
0.589
MAT-POS-4223bc15-21
0.589
EDJ-MED-c40d95bc-2
0.589
MAT-POS-4223bc15-25
0.589
MAT-POS-4223bc15-22
0.582
RAL-THA-ee48ba5f-2
0.580
MAT-POS-5cd9ea36-13
0.580
EDJ-MED-c82a5324-2
0.579
EDJ-MED-c82a5324-3
0.579
RAL-THA-ee48ba5f-5
0.578
NIR-WEI-dcc3321b-6
0.574
MIC-UNK-51049f1a-3
0.569
RAL-THA-ee48ba5f-1
0.558
EDJ-MED-fa7708b3-1
0.558
JOH-UNI-ededfdb6-4
0.554
EDJ-MED-009f762b-5
0.553
PET-UNK-03fd2068-4
0.550
RAL-THA-ee48ba5f-4
0.545
MAT-UNK-35705829-1
0.544
JOH-UNI-ededfdb6-9
0.544
MAT-POS-24589f88-3
0.541
MAT-POS-dd3ad2b5-4
0.541
MAT-POS-24589f88-2
0.541
MAT-POS-4223bc15-6
0.541
EDJ-MED-e9a22d5d-1
0.541
MAT-UNK-f490e871-1
0.539
PET-UNK-af70882d-3
0.539
PET-UNK-ff046148-4
0.538
MAT-POS-4223bc15-27
0.536
MAT-POS-4223bc15-2
0.536
EDJ-MED-f9b78f78-2
0.535
PET-UNK-162c14b2-1
0.532
MAT-POS-61f37a1a-12
0.532
EDJ-MED-94fddcec-1
0.530
EDJ-MED-378a25ea-1
0.528
MAT-POS-4223bc15-1
0.527
MAT-UNK-04ae9652-1
0.526
PET-UNK-af70882d-4
0.526
MAT-POS-5cd9ea36-19
0.526
MAT-POS-dd1fff26-1
0.525
MAT-POS-dd1fff26-2
0.525
ALF-EVA-0e90125c-4
0.525
MAT-POS-5cd9ea36-10
0.525
EDJ-MED-378a25ea-7
0.524
NIR-WEI-dcc3321b-5
0.524
MIC-UNK-482af05e-2
0.522
MAT-POS-4223bc15-26
0.522
MAT-POS-4223bc15-7
0.522
MAT-POS-4223bc15-28
0.522
JOH-UNI-ededfdb6-2
0.522
PET-UNK-af70882d-2
0.521
EDJ-MED-be9e6f63-4
0.521
EDJ-MED-7889e8da-4
0.521
MAT-POS-5cd9ea36-16
0.521
MAT-POS-5cd9ea36-23
0.521
EDJ-MED-c40d95bc-1
0.521
NIR-WEI-dcc3321b-1
0.520
BRU-THA-d60fe444-1
0.518
MAT-POS-4223bc15-29
0.517
CLI-TLC-36f34aa2-1
0.517
RAL-THA-ee48ba5f-6
0.517
EDJ-MED-7889e8da-6
0.516
EDJ-MED-378a25ea-9
0.516
NIR-WEI-dcc3321b-4
0.516
MAT-POS-4223bc15-3
0.513
MIC-UNK-482af05e-1
0.513
EDJ-MED-76744c27-5
0.513
MAT-POS-5cd9ea36-20
0.513