Molecular Properties | |
SMILES: | CN(C)C(=O)N1CCc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12 |
MW: | 408.14 |
Fraction sp3: | 0.23 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 65.54 |
cLogP: | 4.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-b774e9fe-1
0.798
EDJ-MED-2791eece-2
0.798
EDJ-MED-2791eece-12
0.779
EDJ-MED-036ae2e9-1
0.767
EDJ-MED-2791eece-4
0.717
EDJ-MED-036ae2e9-8
0.698
EDJ-MED-487c5e9f-4
0.698
EDJ-MED-2791eece-11
0.696
EDJ-MED-036ae2e9-4
0.695
MAT-POS-fb82b63d-3
0.693
EDJ-MED-2791eece-7
0.674
EDJ-MED-2791eece-6
0.670
EDJ-MED-b774e9fe-2
0.670
EDJ-MED-2791eece-8
0.667
EDJ-MED-b774e9fe-3
0.667
EDJ-MED-2791eece-10
0.649
EDJ-MED-036ae2e9-3
0.649
EDJ-MED-2791eece-9
0.640
EDJ-MED-2791eece-5
0.635
MAT-POS-fb82b63d-4
0.632
EDJ-MED-2791eece-1
0.632
EDJ-MED-036ae2e9-9
0.629
EDJ-MED-487c5e9f-1
0.624
EDJ-MED-2791eece-3
0.622
EDJ-MED-487c5e9f-10
0.620
EDJ-MED-036ae2e9-10
0.612
EDJ-MED-487c5e9f-9
0.612
EDJ-MED-487c5e9f-2
0.612
EDJ-MED-036ae2e9-7
0.606
EDJ-MED-036ae2e9-6
0.600
EDJ-MED-036ae2e9-11
0.598
EDJ-MED-487c5e9f-5
0.592
EDJ-MED-487c5e9f-8
0.592
ALP-POS-d054b76b-2
0.589
EDJ-MED-487c5e9f-7
0.588
EDJ-MED-036ae2e9-5
0.587
EDJ-MED-487c5e9f-11
0.583
EDJ-MED-036ae2e9-12
0.577
EDJ-MED-487c5e9f-6
0.577
EDJ-MED-487c5e9f-3
0.575
MAT-POS-4223bc15-18
0.571
MAT-POS-fb82b63d-1
0.564
ALP-POS-477dc5b7-1
0.547
MIC-UNK-91acba05-4
0.547
DAR-DIA-4987d2cd-4
0.545
DAR-DIA-4987d2cd-3
0.539
EDJ-MED-487c5e9f-12
0.536
RAL-THA-4aa06b95-4
0.535
MAT-POS-4223bc15-24
0.534
MAT-POS-4223bc15-2
0.529
MAT-POS-dd3ad2b5-4
0.520
MAT-POS-24589f88-2
0.520
MAT-POS-24589f88-3
0.520
MAT-POS-4223bc15-1
0.520
MAT-POS-5cd9ea36-19
0.519
ALP-UNI-c3ef0aba-2
0.515
BEN-DND-f2e727cd-4
0.515
MAT-POS-d8472c4f-5
0.515
BEN-DND-f2e727cd-5
0.515
MAT-POS-3ccb8ef6-1
0.515
MAT-POS-3ccb8ef6-2
0.515
MAT-POS-dd3ad2b5-1
0.515
BEN-DND-f2e727cd-6
0.515
ALP-POS-d054b76b-4
0.514
MAT-POS-4223bc15-19
0.505
MAT-POS-dd3ad2b5-2
0.505
RAL-THA-6e4c80cf-1
0.505
PET-UNK-9b23ef84-2
0.505
MAT-POS-4223bc15-6
0.505
MAT-POS-5cd9ea36-20
0.505
PET-UNK-af70882d-3
0.505
RAL-THA-ee48ba5f-2
0.505
RAL-THA-ee48ba5f-5
0.500
MIC-UNK-45817b9b-2
0.500
PET-UNK-d61f3ea6-2
0.500
MAT-POS-5cd9ea36-23
0.500
MAT-POS-4223bc15-27
0.500
BEN-DND-32596b04-4
0.500
MAT-POS-5cd9ea36-16
0.500
MAR-UCB-6ab2ec87-6
0.500
EDJ-MED-fa7708b3-3
0.495
RAL-THA-ee48ba5f-6
0.495
MAT-POS-5cd9ea36-4
0.495
MAT-POS-5cd9ea36-14
0.495
PET-UNK-d61f3ea6-1
0.495
DAR-DIA-d8bd013f-1
0.495
DAR-DIA-d8bd013f-3
0.495
MAT-POS-61f37a1a-12
0.495
PET-UNK-162c14b2-1
0.495
VLA-UCB-1dbca3b4-16
0.495
MAR-UCB-6ab2ec87-7
0.495
MAR-UCB-6ab2ec87-2
0.495
ALF-EVA-0e90125c-4
0.491
EDJ-MED-4fff0a85-2
0.491
EDJ-MED-7f6e5b75-1
0.491
EDJ-MED-76744c27-5
0.491
EDJ-MED-1981ceba-2
0.491
RAL-THA-8416115c-9
0.491
RAL-THA-6e4c80cf-2
0.491
MAT-POS-4223bc15-20
0.491