Molecular Properties | |
SMILES: | O=C(CN1CCc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12)NC1CC1 |
MW: | 434.15 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 74.33 |
cLogP: | 3.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-2791eece-5
0.831
EDJ-MED-2791eece-7
0.774
EDJ-MED-036ae2e9-5
0.763
EDJ-MED-2791eece-1
0.731
MAT-POS-fb82b63d-4
0.731
EDJ-MED-2791eece-3
0.701
EDJ-MED-2791eece-9
0.650
EDJ-MED-487c5e9f-1
0.650
MAT-POS-fb82b63d-3
0.632
EDJ-MED-036ae2e9-1
0.629
EDJ-MED-036ae2e9-3
0.626
EDJ-MED-036ae2e9-10
0.624
EDJ-MED-b774e9fe-1
0.619
EDJ-MED-2791eece-2
0.619
EDJ-MED-b774e9fe-2
0.612
EDJ-MED-2791eece-6
0.612
EDJ-MED-2791eece-10
0.610
EDJ-MED-036ae2e9-9
0.608
EDJ-MED-2791eece-12
0.606
MAT-POS-5cd9ea36-13
0.606
EDJ-MED-036ae2e9-7
0.602
EDJ-MED-036ae2e9-2
0.600
EDJ-MED-b774e9fe-3
0.594
EDJ-MED-2791eece-8
0.594
EDJ-MED-2791eece-4
0.592
EDJ-MED-2791eece-11
0.588
EDJ-MED-036ae2e9-11
0.579
EDJ-MED-487c5e9f-9
0.577
EDJ-MED-036ae2e9-12
0.574
ALP-POS-d054b76b-2
0.570
EDJ-MED-487c5e9f-11
0.565
EDJ-MED-036ae2e9-4
0.561
EDJ-MED-487c5e9f-5
0.560
EDJ-MED-487c5e9f-3
0.559
EDJ-MED-487c5e9f-7
0.556
EDJ-MED-487c5e9f-10
0.556
EDJ-MED-036ae2e9-8
0.550
EDJ-MED-487c5e9f-4
0.550
EDJ-MED-487c5e9f-2
0.550
EDJ-MED-487c5e9f-8
0.545
EDJ-MED-487c5e9f-6
0.545
EDJ-MED-43f8f7d6-4
0.541
EDJ-MED-487c5e9f-12
0.534
ALP-POS-477dc5b7-1
0.530
MAT-POS-fb82b63d-1
0.530
MIC-UNK-91acba05-4
0.530
DAR-DIA-4987d2cd-4
0.528
DAR-DIA-4987d2cd-3
0.523
EDJ-MED-c82a5324-2
0.518
MAT-POS-4223bc15-6
0.505
RAL-THA-a9c31980-2
0.504
ALP-POS-d054b76b-4
0.500
MIC-UNK-482af05e-2
0.500
MAT-POS-4223bc15-23
0.500
MAT-POS-5cd9ea36-2
0.500
MAT-POS-8293a91a-4
0.500
MAT-POS-8293a91a-5
0.500
EDJ-MED-76744c27-3
0.495
BRU-THA-d60fe444-1
0.495
MAT-POS-4223bc15-25
0.495
EDJ-MED-c40d95bc-2
0.495
MAT-POS-4223bc15-21
0.495
ANN-CHE-e1757302-1
0.491
MAT-POS-4223bc15-24
0.491
MAT-POS-4223bc15-3
0.491
EDJ-MED-e9a22d5d-1
0.491
RAL-THA-6e4c80cf-1
0.491
MAT-POS-4223bc15-19
0.491
MAT-POS-24589f88-2
0.491
MAT-POS-24589f88-3
0.491
MAT-POS-dd3ad2b5-4
0.491
PET-UNK-af70882d-2
0.487
MAT-POS-4223bc15-5
0.486
RAL-THA-ee48ba5f-5
0.486
BEN-DND-f2e727cd-6
0.486
MAT-POS-dd3ad2b5-1
0.486
MAT-POS-78e1d523-1
0.485
MAT-POS-5cd9ea36-24
0.482
RAL-THA-ee48ba5f-4
0.482
RAL-THA-8416115c-10
0.482
MAT-POS-4223bc15-13
0.482
PET-UNK-162c14b2-1
0.481
MAT-POS-61f37a1a-12
0.481
JOH-SUS-07b743f6-3
0.479
VLA-UNK-5b0345c3-3
0.479
EDJ-MED-4fff0a85-2
0.478
MAT-POS-5cd9ea36-9
0.478
MAT-POS-4223bc15-14
0.478
JOH-UNI-ededfdb6-1
0.478
PET-UNK-af70882d-4
0.478
EDJ-MED-76744c27-5
0.478
MAT-POS-5cd9ea36-3
0.478
EDJ-MED-7f6e5b75-1
0.478
PET-UNK-af70882d-3
0.478
RAL-THA-6e4c80cf-2
0.477
CLI-TLC-3a13eaf2-1
0.477
EDJ-MED-1981ceba-2
0.477
MAT-POS-4223bc15-20
0.477
MAT-POS-4223bc15-22
0.477
EDJ-MED-54fbebd8-3
0.477