Molecular Properties | |
SMILES: | CC(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3cnoc23)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-c65ea24c-17
PET-UNK-c65ea24c-16
PET-UNK-c65ea24c-15
PET-UNK-c65ea24c-12
PET-UNK-c65ea24c-11
PET-UNK-c65ea24c-10
PET-UNK-c65ea24c-9
PET-UNK-c65ea24c-8
PET-UNK-c65ea24c-7
PET-UNK-c65ea24c-6
PET-UNK-c65ea24c-5
PET-UNK-c65ea24c-4
PET-UNK-c65ea24c-2
PET-UNK-c65ea24c-3
PET-UNK-c65ea24c-1
PET-UNK-c65ea24c-18
PET-UNK-c65ea24c-13
PET-UNK-c65ea24c-14
PET-UNK-b1ef24dc-25
0.727
PET-UNK-b1ef24dc-29
0.696
PET-UNK-b1ef24dc-35
0.645
MAT-POS-dd3ad2b5-2
0.624
PET-UNK-9b23ef84-2
0.624
PET-UNK-b1ef24dc-34
0.611
PET-UNK-b1ef24dc-17
0.585
PET-UNK-7f7e354d-6
0.561
PET-UNK-b1ef24dc-36
0.561
PET-UNK-b1ef24dc-5
0.521
PET-UNK-b1ef24dc-21
0.521
PET-UNK-b1ef24dc-9
0.515
PET-UNK-b1ef24dc-13
0.510
RAL-THA-6e4c80cf-1
0.510
MAT-POS-4223bc15-19
0.510
PET-UNK-c65ea24c-17
0.505
MAT-POS-4223bc15-18
0.500
MAT-POS-dd3ad2b5-5
0.495
MAT-POS-dd3ad2b5-3
0.495
MAT-POS-4223bc15-20
0.481
RAL-THA-6e4c80cf-2
0.481
MAT-POS-4223bc15-17
0.481
MAT-POS-4223bc15-41
0.472
MAT-POS-4223bc15-35
0.472
MAT-POS-be048f2c-4
0.470
MAT-POS-4223bc15-40
0.468
MAT-POS-be048f2c-1
0.465
MAT-POS-4223bc15-36
0.464
MAT-POS-4223bc15-33
0.463
PET-UNK-b1ef24dc-27
0.462
MAT-POS-4223bc15-39
0.460
MAT-POS-4223bc15-37
0.459
MAT-POS-4223bc15-38
0.459
ALF-EVA-0e90125c-2
0.451
MAT-POS-be048f2c-2
0.448
MAT-POS-dd3ad2b5-1
0.447
BEN-DND-f2e727cd-6
0.447
ALF-EVA-0e90125c-1
0.446
MAT-UNK-35705829-1
0.445
PET-UNK-b1ef24dc-31
0.444
RAL-THA-6e4c80cf-3
0.444
PET-UNK-c65ea24c-5
0.444
PET-UNK-e274cad4-3
0.443
MAT-POS-be048f2c-3
0.440
ROB-CAM-4c532489-1
0.439
MAT-POS-dd3ad2b5-4
0.438
PET-UNK-f4e47ebd-10
0.438
PET-UNK-e274cad4-8
0.438
MAT-POS-24589f88-2
0.438
MAT-POS-24589f88-3
0.438
PET-UNK-9b23ef84-11
0.438
MAT-POS-5cd9ea36-17
0.436
MAT-POS-4223bc15-27
0.435
EDJ-MED-12c4873b-3
0.435
PET-UNK-d61f3ea6-2
0.435
VLA-UNK-5b0345c3-2
0.435
EDJ-MED-d1555997-2
0.434
PET-UNK-b38839dc-6
0.434
PET-UNK-162c14b2-1
0.430
PET-UNK-03fd2068-3
0.430
PET-UNK-9b23ef84-3
0.430
MAT-POS-61f37a1a-12
0.430
PET-UNK-b1ef24dc-26
0.430
PET-UNK-f4e47ebd-9
0.430
RAL-THA-6e4c80cf-4
0.427
FRA-DIA-6238d354-2
0.426
MAT-POS-4223bc15-6
0.426
MAT-POS-4223bc15-1
0.426
EDJ-MED-d1555997-1
0.426
EDJ-MED-e9a22d5d-1
0.426
PET-UNK-c65ea24c-11
0.425
PET-UNK-b38839dc-8
0.423
MAT-POS-5cd9ea36-2
0.423
MAT-POS-4223bc15-26
0.422
MAT-POS-4223bc15-23
0.422
MAT-POS-8293a91a-4
0.422
RAL-THA-ee48ba5f-5
0.422
MAT-POS-8293a91a-5
0.422
MIC-UNK-482af05e-2
0.422
MAT-POS-4223bc15-2
0.422
PET-UNK-03fd2068-4
0.422
BEN-DND-32596b04-2
0.421
BEN-DND-32596b04-8
0.421
EDJ-MED-1981ceba-5
0.421
DAR-DIA-d8bd013f-1
0.420
DAR-DIA-d8bd013f-3
0.420
PET-UNK-b38839dc-7
0.420
MAT-POS-5cd9ea36-14
0.420
RAL-THA-ee48ba5f-4
0.418
EDJ-MED-841e0cf0-7
0.418
EDJ-MED-670ad2ee-9
0.418
PET-UNK-162c14b2-2
0.418
EDJ-MED-7889e8da-3
0.418
EDJ-MED-0186a59b-2
0.418
PET-UNK-b38839dc-9
0.418
EDJ-MED-670ad2ee-10
0.418
MAT-POS-4223bc15-21
0.417
MAT-POS-4223bc15-25
0.417
EDJ-MED-c40d95bc-2
0.417
PET-UNK-af70882d-3
0.416