Molecular Properties | |
SMILES: | CNC(=O)C1(N2CC(C(=O)Nc3cncc4ccc(NS(C)(=O)=O)cc34)c3cc(Cl)ccc3C2=O)CC1 |
MW: | 541.12 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 137.57 |
cLogP: | 2.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-2e8b2191-11
EDJ-MED-43f8f7d6-2
0.695
EDJ-MED-12c4873b-2
0.695
LUO-POS-8701f4c8-1
0.695
EDJ-MED-41558c53-3
0.692
EDJ-MED-c4e42105-3
0.688
MAT-POS-2e8b2191-11
0.682
EDJ-MED-41558c53-4
0.673
EDJ-MED-d165ed91-2
0.673
EDJ-MED-c4e42105-2
0.635
EDJ-MED-c4e42105-1
0.613
EDJ-MED-d9f3798e-1
0.586
MAT-POS-2e8b2191-10
0.559
MAT-POS-b4d6b7fc-2
0.537
EDJ-MED-378a25ea-26
0.537
MAT-POS-2e8b2191-9
0.537
MAT-POS-e36d57d9-1
0.537
EDJ-MED-827e7cb4-2
0.526
EDJ-MED-ce467fd5-1
0.525
EDJ-MED-827e7cb4-3
0.525
PET-UNK-329a9ce9-1
0.517
EDJ-MED-d9f3798e-3
0.517
PET-UNK-c671f938-4
0.517
PET-UNK-c671f938-8
0.517
EDJ-MED-d9f3798e-2
0.513
BEN-DND-f6031113-24
0.504
EDJ-MED-827e7cb4-9
0.492
EDG-MED-9fc99cca-4
0.492
PET-UNK-e9bc7c59-4
0.492
MAT-POS-c7726e07-4
0.487
MAT-POS-e119ab4f-2
0.487
MAT-POS-c7726e07-3
0.487
PET-UNK-c6bcc80b-3
0.484
PET-UNK-c6bcc80b-10
0.484
MAT-POS-37ffad05-1
0.484
JOH-UNI-d2a12aa9-2
0.484
MAT-POS-97ec4bd1-4
0.484
PET-UNK-e9bc7c59-5
0.483
PET-UNK-fe31e24a-6
0.483
PET-UNK-fe31e24a-5
0.479
JOH-UNI-d2a12aa9-4
0.477
EDJ-MED-eb111c00-4
0.475
EDJ-MED-0047eae5-1
0.474
PET-UNK-3324058f-4
0.473
PET-UNK-3324058f-8
0.473
JOH-UNI-6b98e24c-2
0.471
MAT-POS-13080fc6-2
0.464
MAT-POS-acfe5bae-3
0.462
ALP-POS-b3e0acc5-1
0.459
FRA-DIA-6238d354-2
0.458
JOH-UNI-d2a12aa9-1
0.457
MIC-UNK-91acba05-2
0.456
EDJ-MED-eb111c00-1
0.456
JOH-UNI-d2a12aa9-3
0.450
MAT-POS-a54ce14d-3
0.450
LUO-POS-edefcc0e-1
0.450
MAT-POS-a54ce14d-2
0.450
EDJ-MED-015fb6b4-2
0.450
EDJ-MED-0186a59b-6
0.450
MAT-POS-acfe5bae-2
0.450
EDJ-MED-43f8f7d6-1
0.450
EDJ-MED-12c4873b-4
0.450
LUO-POS-3f66b338-1
0.450
LUO-POS-74179f4f-1
0.450
EDJ-MED-41558c53-7
0.447
EDJ-MED-0047eae5-2
0.446
EDJ-MED-827e7cb4-1
0.445
EDJ-MED-41558c53-1
0.445
EDJ-MED-41558c53-11
0.445
EDJ-MED-0186a59b-7
0.444
MAT-POS-2e8b2191-12
0.444
MAT-POS-419aafdb-1
0.443
EDJ-MED-41558c53-14
0.441
PET-UNK-e9bc7c59-6
0.440
EDJ-MED-d165ed91-1
0.440
EDJ-MED-41558c53-2
0.440
EDJ-MED-41558c53-12
0.440
PET-UNK-8f269638-1
0.440
PET-UNK-8f269638-2
0.440
EDJ-MED-12c4873b-1
0.439
EDJ-MED-41558c53-13
0.438
EDJ-MED-968bafd9-1
0.438
PET-UNK-03fd2068-3
0.437
MAT-POS-419aafdb-2
0.434
MAT-POS-b4d6b7fc-1
0.434
EDJ-MED-378a25ea-20
0.433
PET-UNK-329a9ce9-5
0.432
PET-UNK-c7ac4d9e-1
0.431
RAL-THA-8f106089-1
0.431
PET-UNK-c7ac4d9e-2
0.431
EDJ-MED-12c4873b-8
0.431
EDJ-MED-43f8f7d6-8
0.431
RAL-THA-8f106089-2
0.431
MIC-UNK-482af05e-4
0.430
ALP-POS-c56c1477-3
0.430
EDJ-MED-d165ed91-6
0.430
MAT-POS-81ae2990-3
0.430
PET-UNK-f860268d-5
0.429
PET-UNK-f860268d-2
0.429
EDJ-MED-378a25ea-10
0.427
MAT-POS-b4d6b7fc-4
0.427