Molecular Properties | |
SMILES: | CC(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3oncc23)C1 |
MW: | 370.08 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 88.33 |
cLogP: | 2.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-b1ef24dc-27
0.739
PET-UNK-b1ef24dc-31
0.707
PET-UNK-b1ef24dc-33
0.645
MAT-POS-dd3ad2b5-2
0.634
PET-UNK-9b23ef84-2
0.634
PET-UNK-b1ef24dc-36
0.621
PET-UNK-7f7e354d-6
0.621
PET-UNK-b1ef24dc-19
0.589
PET-UNK-b1ef24dc-34
0.556
PET-UNK-b1ef24dc-7
0.531
PET-UNK-b1ef24dc-11
0.526
PET-UNK-b1ef24dc-23
0.526
MAT-POS-4223bc15-18
0.525
MAT-POS-4223bc15-19
0.520
RAL-THA-6e4c80cf-1
0.520
PET-UNK-b1ef24dc-15
0.515
PET-UNK-b38839dc-6
0.515
PET-UNK-c65ea24c-15
0.510
MAT-POS-dd3ad2b5-3
0.505
MAT-POS-dd3ad2b5-5
0.505
PET-UNK-b38839dc-9
0.495
MAT-POS-4223bc15-35
0.495
MAT-POS-4223bc15-20
0.491
RAL-THA-6e4c80cf-2
0.491
MAT-POS-4223bc15-17
0.490
MAT-POS-4223bc15-33
0.486
MAT-POS-4223bc15-37
0.482
MAT-POS-4223bc15-41
0.481
EDJ-MED-670ad2ee-10
0.481
EDJ-MED-841e0cf0-7
0.481
EDJ-MED-670ad2ee-9
0.481
MAT-POS-4223bc15-40
0.477
MAT-POS-4223bc15-1
0.476
MAT-POS-be048f2c-1
0.474
ALF-EVA-0e90125c-2
0.473
MAT-POS-4223bc15-36
0.473
MAT-POS-5cd9ea36-17
0.472
PET-UNK-c65ea24c-3
0.472
PET-UNK-b1ef24dc-25
0.471
MAT-POS-4223bc15-39
0.469
MAT-POS-4223bc15-38
0.468
PET-UNK-03fd2068-3
0.467
MAT-POS-be048f2c-4
0.466
FRA-DIA-6238d354-2
0.462
MAT-POS-24589f88-3
0.462
MAT-POS-dd3ad2b5-4
0.462
PET-UNK-f4e47ebd-10
0.462
MAT-POS-24589f88-2
0.462
PET-UNK-d61f3ea6-2
0.458
MAT-POS-be048f2c-2
0.457
BEN-DND-f2e727cd-6
0.456
MAT-POS-dd3ad2b5-1
0.456
ALF-EVA-0e90125c-1
0.455
PET-UNK-b1ef24dc-29
0.454
PET-UNK-f4e47ebd-9
0.453
PET-UNK-b1ef24dc-28
0.453
PET-UNK-7f7e354d-4
0.453
EDJ-MED-841e0cf0-6
0.450
EDJ-MED-670ad2ee-7
0.450
EDJ-MED-670ad2ee-8
0.450
MAT-POS-4223bc15-6
0.449
MAT-POS-be048f2c-3
0.448
MAT-POS-78ab8081-3
0.446
MAT-POS-5cd9ea36-2
0.445
MAT-POS-4223bc15-7
0.445
MAT-POS-4223bc15-2
0.444
PET-UNK-03fd2068-4
0.444
RAL-THA-ee48ba5f-5
0.444
EDJ-MED-12c4873b-3
0.444
VLA-UNK-5b0345c3-2
0.443
PET-UNK-19e211a9-4
0.443
EDJ-MED-343bb62d-3
0.443
MAT-POS-4223bc15-29
0.441
PET-UNK-c65ea24c-9
0.441
MAT-POS-5cd9ea36-4
0.441
RAL-THA-6e4c80cf-3
0.441
EDJ-MED-841e0cf0-5
0.440
EDJ-MED-670ad2ee-5
0.440
EDJ-MED-670ad2ee-6
0.440
PET-UNK-7f7e354d-5
0.440
PET-UNK-162c14b2-2
0.440
BRU-THA-d60fe444-1
0.440
BEN-DND-32596b04-6
0.440
PET-UNK-162c14b2-1
0.439
PET-UNK-9b23ef84-3
0.439
MAT-POS-61f37a1a-12
0.439
MAT-POS-4223bc15-4
0.439
BEN-DND-32596b04-5
0.439
EDJ-MED-378a25ea-2
0.438
MAT-POS-78ab8081-4
0.438
PET-UNK-af70882d-4
0.438
EDJ-MED-76744c27-5
0.438
MAT-POS-5cd9ea36-3
0.438
PET-UNK-b1ef24dc-32
0.436
PET-UNK-f4e47ebd-12
0.436
RAL-THA-6e4c80cf-4
0.436
MAT-POS-4223bc15-3
0.435
EDJ-MED-e9a22d5d-1
0.435
BEN-DND-32596b04-3
0.435
MAT-POS-5c19d660-3
0.434