Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1c2cc(Cl)ccc2CCN1C(=O)c1cnco1 |
MW: | 432.1 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 88.33 |
cLogP: | 4.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-b774e9fe-1
0.717
EDJ-MED-2791eece-2
0.717
EDJ-MED-036ae2e9-8
0.717
EDJ-MED-036ae2e9-1
0.710
EDJ-MED-2791eece-12
0.702
EDJ-MED-487c5e9f-4
0.700
EDJ-MED-036ae2e9-2
0.695
EDJ-MED-2791eece-4
0.667
MAT-POS-fb82b63d-3
0.660
EDJ-MED-2791eece-6
0.606
EDJ-MED-b774e9fe-2
0.606
EDJ-MED-2791eece-8
0.604
EDJ-MED-2791eece-10
0.604
EDJ-MED-b774e9fe-3
0.604
MAT-POS-fb82b63d-4
0.588
EDJ-MED-2791eece-1
0.588
EDJ-MED-036ae2e9-3
0.588
EDJ-MED-487c5e9f-9
0.587
EDJ-MED-2791eece-11
0.583
MAT-POS-4223bc15-36
0.579
EDJ-MED-2791eece-5
0.577
EDJ-MED-036ae2e9-10
0.571
EDJ-MED-036ae2e9-9
0.571
EDJ-MED-036ae2e9-7
0.566
EDJ-MED-2791eece-3
0.566
EDJ-MED-2791eece-7
0.566
EDJ-MED-487c5e9f-7
0.565
EDJ-MED-487c5e9f-10
0.565
EDJ-MED-036ae2e9-6
0.561
EDJ-MED-036ae2e9-11
0.560
EDJ-MED-487c5e9f-11
0.560
EDJ-MED-2791eece-9
0.555
EDJ-MED-036ae2e9-12
0.555
EDJ-MED-487c5e9f-1
0.555
EDJ-MED-487c5e9f-5
0.555
EDJ-MED-487c5e9f-6
0.541
EDJ-MED-487c5e9f-8
0.541
MAT-POS-fb82b63d-1
0.540
EDJ-MED-036ae2e9-5
0.536
ALP-POS-d054b76b-2
0.534
EDJ-MED-487c5e9f-2
0.531
EDJ-MED-487c5e9f-12
0.530
EDJ-MED-487c5e9f-3
0.526
DAR-DIA-4987d2cd-3
0.519
MIC-UNK-91acba05-4
0.510
ALP-POS-477dc5b7-1
0.510
DAR-DIA-4987d2cd-4
0.509
ALF-EVA-0e90125c-5
0.487
ALP-POS-d054b76b-4
0.482
MAT-POS-3ccb8ef6-2
0.481
MAT-POS-3ccb8ef6-1
0.481
BEN-DND-f2e727cd-4
0.481
BEN-DND-f2e727cd-5
0.481
MAT-POS-d8472c4f-5
0.481
ALP-UNI-c3ef0aba-2
0.481
VLA-UCB-1dbca3b4-16
0.476
MAT-POS-24589f88-3
0.472
MAT-POS-dd3ad2b5-4
0.472
MAT-POS-24589f88-2
0.472
MAT-POS-bbbbc21a-2
0.471
MAT-POS-f7918075-2
0.471
EDJ-MED-12c115cc-1
0.471
EDJ-MED-12c115cc-2
0.471
PET-UNK-d61f3ea6-2
0.468
BEN-DND-f2e727cd-6
0.467
MAT-POS-dd3ad2b5-1
0.467
EDJ-MED-12c4873b-5
0.466
RAL-THA-952697e1-3
0.466
RAL-THA-952697e1-4
0.466
MAT-POS-777f5926-2
0.466
PET-UNK-d61f3ea6-1
0.465
BRU-THA-d60fe444-1
0.464
MAT-POS-4223bc15-35
0.464
PET-UNK-162c14b2-1
0.464
MAT-POS-61f37a1a-12
0.464
PET-UNK-022eab87-1
0.462
EDJ-MED-1981ceba-2
0.460
MAT-POS-4223bc15-1
0.459
MAT-POS-4223bc15-3
0.459
EDJ-MED-e9a22d5d-1
0.459
MAT-POS-4223bc15-6
0.459
MAT-POS-dd3ad2b5-3
0.459
PET-UNK-9b23ef84-2
0.459
MAT-POS-4223bc15-19
0.459
MAT-POS-dd3ad2b5-2
0.459
RAL-THA-6e4c80cf-1
0.459
EDG-MED-5d232de5-5
0.458
MIC-UNK-91acba05-6
0.458
RAL-THA-8416115c-2
0.458
ADA-UCB-dc2b944c-15
0.458
DAR-DIA-0d514e7d-3
0.458
DAR-DIA-0f2f46c9-12
0.458
EDG-MED-5d232de5-6
0.458
PET-UNK-1b92fa34-1
0.458
EDJ-MED-12c4873b-7
0.457
RAL-THA-952697e1-1
0.457
RAL-THA-952697e1-2
0.457
PET-UNK-9b23ef84-6
0.457
MAT-POS-4223bc15-15
0.456
MAT-POS-4223bc15-7
0.456