Molecular Properties | |
SMILES: | CN(C(=O)[C@@H]1CC[C@H](C(=O)N2CCC2)O1)[C@H](C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1 |
MW: | 506.17 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 91.84 |
cLogP: | 3.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-1320d94d-26
1.000
PET-UNK-10339a1d-1
0.957
ALP-POS-a9ad2217-2
0.957
PET-UNK-1320d94d-23
0.878
PET-UNK-1320d94d-24
0.878
PET-UNK-1320d94d-29
0.859
PET-UNK-1320d94d-30
0.859
PET-UNK-1320d94d-22
0.792
PET-UNK-1320d94d-21
0.792
PET-UNK-1320d94d-27
0.772
PET-UNK-1320d94d-28
0.772
PET-UNK-1320d94d-5
0.654
PET-UNK-1320d94d-6
0.654
PET-UNK-ac320b15-7
0.627
MAT-POS-8293a91a-2
0.627
EDJ-MED-ee07cf00-11
0.627
MAT-POS-a13804f0-4
0.627
PET-UNK-ac320b15-9
0.627
PET-UNK-ac320b15-10
0.627
MAT-POS-7174c657-6
0.627
PET-UNK-ac320b15-5
0.627
MAT-POS-7174c657-5
0.627
PET-UNK-ac320b15-6
0.627
PET-UNK-ac320b15-8
0.627
MAT-POS-8293a91a-6
0.627
MAT-POS-8293a91a-7
0.627
PET-UNK-1320d94d-3
0.583
PET-UNK-1320d94d-4
0.583
PET-UNK-1320d94d-9
0.579
PET-UNK-1320d94d-10
0.579
EDJ-MED-cf4b0d25-2
0.556
PET-UNK-1320d94d-1
0.554
PET-UNK-1320d94d-2
0.554
PET-UNK-1320d94d-7
0.549
PET-UNK-1320d94d-8
0.549
PET-UNK-1320d94d-16
0.539
PET-UNK-1320d94d-15
0.539
PET-UNK-ac320b15-1
0.526
PET-UNK-ac320b15-2
0.526
MIC-UNK-5a93dd5f-8
0.519
ALP-POS-a9ad2217-1
0.517
MIC-UNK-5a93dd5f-6
0.505
MIC-UNK-5a93dd5f-9
0.505
NIR-THE-590dedc7-1
0.500
MIC-UNK-6ab519a7-1
0.500
MIC-UNK-5a93dd5f-10
0.500
NAU-LAT-a5c7d7cb-2
0.500
EDJ-MED-cf4b0d25-4
0.490
MIC-UNK-5a93dd5f-7
0.487
EDJ-MED-cf4b0d25-3
0.487
PET-UNK-1320d94d-13
0.484
PET-UNK-1320d94d-14
0.484
MIC-UNK-5a93dd5f-1
0.482
MIC-UNK-5a93dd5f-2
0.482
PET-UNK-1320d94d-19
0.479
PET-UNK-1320d94d-20
0.479
MIC-UNK-5a93dd5f-4
0.478
VLA-UNK-9a7dc93f-7
0.476
EDJ-MED-ee07cf00-4
0.474
MIC-UNK-5a93dd5f-11
0.470
EDJ-MED-cf4b0d25-1
0.467
MIC-UNK-5a93dd5f-5
0.466
MAT-POS-d8472c4f-2
0.463
MIC-UNK-5a93dd5f-3
0.462
MIC-UNK-d36ab305-4
0.459
MAK-UNK-ffc90da7-4
0.455
MAK-UNK-c749d764-22
0.455
MIC-UNK-5a93dd5f-12
0.454
JOH-UNI-ee5ed7c8-6
0.454
JOH-UNI-3fc3434e-6
0.454
ALP-POS-3b848b35-4
0.452
MIC-UNK-c66144cb-3
0.452
ALP-UNI-dbbfd3db-6
0.450
MAT-POS-24589f88-11
0.450
PET-UNK-1320d94d-11
0.450
PET-UNK-1320d94d-12
0.450
PET-UNK-1320d94d-17
0.450
PET-UNK-1320d94d-18
0.450
MAT-POS-1f3f1a6f-2
0.448
MIC-UNK-cdc2493e-17
0.446
EDJ-MED-cf4b0d25-5
0.445
MAK-UNK-ffc90da7-7
0.442
EDJ-MED-ee07cf00-6
0.441
MIC-UNK-d36ab305-1
0.438
EDJ-MED-ee07cf00-18
0.435
MAK-UNK-ffc90da7-1
0.435
MIC-UNK-cdc2493e-18
0.435
MAK-UNK-c749d764-6
0.435
MAT-POS-a13804f0-1
0.432
EDJ-MED-ee07cf00-13
0.432
EDJ-MED-ee07cf00-14
0.430
EDJ-MED-ee07cf00-12
0.426
MIC-UNK-c66144cb-2
0.426
MIC-UNK-c66144cb-1
0.422
EDJ-MED-ee07cf00-7
0.421
EDJ-MED-ee07cf00-1
0.416
ALP-POS-e4f7337d-1
0.415
MIC-UNK-cdc2493e-11
0.412
MIC-UNK-bcd487e9-3
0.412
MIC-UNK-bcd487e9-4
0.410