Molecular Properties | |
SMILES: | O=C(CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3cccc(Cl)c23)C1)NC1CC1 |
MW: | 468.11 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 74.33 |
cLogP: | 4.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-0186a59b-4
0.811
EDJ-MED-ede277f6-5
0.770
MAT-POS-5cd9ea36-13
0.686
EDJ-MED-ede277f6-7
0.639
MIC-UNK-51049f1a-4
0.638
EDJ-MED-ede277f6-8
0.616
MIC-UNK-51049f1a-3
0.609
MAT-POS-b4d6b7fc-8
0.604
MAT-POS-81ae2990-7
0.604
MAT-POS-81ae2990-1
0.595
EDJ-MED-c82a5324-2
0.591
MAT-POS-81ae2990-4
0.584
EDJ-MED-ede277f6-11
0.579
MAT-POS-13080fc6-5
0.566
EDJ-MED-ede277f6-3
0.560
MAT-POS-4223bc15-23
0.546
MAT-POS-8293a91a-4
0.546
MAT-POS-8293a91a-5
0.546
JOH-UNI-ededfdb6-1
0.536
MAT-POS-13080fc6-6
0.534
MAT-POS-4223bc15-25
0.528
MAT-POS-4223bc15-21
0.528
EDJ-MED-c40d95bc-2
0.528
EDJ-MED-0186a59b-2
0.527
EDJ-MED-7889e8da-3
0.527
MAT-POS-4223bc15-22
0.523
MIK-ENA-5d9157e9-3
0.522
MIK-ENA-5d9157e9-4
0.522
EDJ-MED-0186a59b-8
0.522
MAT-POS-5cd9ea36-15
0.518
PET-UNK-c6bcc80b-2
0.517
PET-UNK-c6bcc80b-9
0.517
MAT-POS-4223bc15-24
0.509
EDJ-MED-c82a5324-3
0.509
BEN-DND-f06bfa8e-2
0.504
EDJ-MED-0186a59b-1
0.504
EDJ-MED-7889e8da-1
0.504
ALP-POS-6f6ae286-5
0.504
MAT-POS-97ec4bd1-3
0.504
NIR-WEI-dcc3321b-6
0.504
ALP-POS-1460fd94-1
0.496
EDJ-MED-e9a22d5d-1
0.495
ROB-CAM-4c532489-1
0.495
EDJ-MED-54fbebd8-3
0.495
MAT-POS-81ae2990-8
0.492
EDJ-MED-7889e8da-5
0.492
EDJ-MED-0186a59b-3
0.492
EDJ-MED-d1555997-2
0.491
EDJ-MED-4f4dd660-1
0.488
MAT-POS-b4d6b7fc-3
0.484
MAT-POS-2e8b2191-10
0.483
EDJ-MED-ede277f6-4
0.483
MAT-POS-81ae2990-2
0.483
MIC-UNK-482af05e-1
0.482
EDJ-MED-d1555997-1
0.482
BEN-DND-a7517465-3
0.481
EDJ-MED-4f4dd660-3
0.480
EDJ-MED-c40d95bc-1
0.479
MAT-POS-b4d6b7fc-1
0.479
BEN-DND-fa51d92c-15
0.479
EDJ-MED-94fddcec-3
0.477
NIR-WEI-dcc3321b-4
0.477
EDJ-MED-4f4dd660-5
0.476
MAT-POS-81ae2990-5
0.475
MAT-POS-61f37a1a-12
0.473
PET-UNK-162c14b2-1
0.473
NIR-WEI-dcc3321b-5
0.472
EDJ-MED-ede277f6-6
0.472
EDJ-MED-009f762b-5
0.470
JOH-UNI-ededfdb6-4
0.470
MAT-POS-4223bc15-28
0.466
RAL-THA-ee48ba5f-5
0.465
MAT-POS-4223bc15-26
0.465
MAT-POS-4223bc15-27
0.465
MIC-UNK-482af05e-2
0.465
RAL-THA-ee48ba5f-3
0.463
JOH-UNI-ededfdb6-5
0.462
JOH-UNI-ededfdb6-9
0.462
RAL-THA-ee48ba5f-4
0.461
EDJ-MED-f9b78f78-3
0.459
NIR-WEI-dcc3321b-1
0.457
NIR-WEI-dcc3321b-2
0.455
JOH-UNI-ededfdb6-8
0.455
JOH-UNI-ededfdb6-2
0.453
MAT-POS-dd3ad2b5-1
0.450
BEN-DND-f2e727cd-6
0.450
CLI-TLC-36f34aa2-1
0.450
BEN-DND-f6031113-15
0.450
JOH-UNI-ededfdb6-3
0.450
EDJ-MED-fa7708b3-1
0.449
RAL-THA-ee48ba5f-1
0.449
MAT-UNK-35705829-1
0.449
BEN-DND-fa51d92c-2
0.447
NIR-WEI-dcc3321b-3
0.447
ALF-EVA-0e90125c-9
0.446
MAT-UNK-04ae9652-1
0.445
RAL-THA-ee48ba5f-2
0.445
BEN-DND-fa51d92c-16
0.445
MAT-UNK-f490e871-1
0.445
EDJ-MED-9537a89a-1
0.444