Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3cccc(C(F)F)c23)C1 |
MW: | 458.13 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 74.33 |
cLogP: | 4.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-51049f1a-4
0.765
EDJ-MED-0186a59b-4
0.747
MAT-POS-13080fc6-5
0.664
MAT-POS-8293a91a-4
0.647
MAT-POS-8293a91a-5
0.647
MAT-POS-4223bc15-23
0.647
MIC-UNK-51049f1a-1
0.639
MAT-POS-13080fc6-6
0.627
EDJ-MED-0186a59b-2
0.625
EDJ-MED-7889e8da-3
0.625
EDJ-MED-ede277f6-5
0.618
EDJ-MED-7889e8da-1
0.611
BEN-DND-f06bfa8e-2
0.611
EDJ-MED-0186a59b-1
0.611
ALP-POS-6f6ae286-5
0.611
EDJ-MED-0186a59b-3
0.609
EDJ-MED-7889e8da-5
0.609
EDJ-MED-ede277f6-9
0.609
MAT-POS-97ec4bd1-3
0.595
PET-UNK-c6bcc80b-2
0.593
PET-UNK-c6bcc80b-9
0.593
MAT-POS-2e8b2191-10
0.584
ALP-POS-1460fd94-1
0.584
EDJ-MED-4f4dd660-3
0.578
EDJ-MED-4f4dd660-1
0.574
JOH-UNI-ededfdb6-1
0.573
MAT-POS-b4d6b7fc-3
0.569
MAT-POS-b4d6b7fc-1
0.565
EDJ-MED-4f4dd660-5
0.559
JOH-UNI-ededfdb6-2
0.555
JOH-UNI-ededfdb6-4
0.545
MAT-POS-5cd9ea36-15
0.540
JOH-UNI-ededfdb6-6
0.540
MAT-POS-4223bc15-25
0.537
MAT-POS-4223bc15-21
0.537
EDJ-MED-c40d95bc-2
0.537
JOH-UNI-ededfdb6-9
0.536
MAT-POS-4223bc15-22
0.532
MAT-POS-4223bc15-24
0.532
MAT-POS-5cd9ea36-13
0.531
EDJ-MED-c82a5324-3
0.530
NIR-WEI-dcc3321b-6
0.526
MIC-UNK-482af05e-1
0.518
EDJ-MED-c82a5324-2
0.517
EDJ-MED-d1555997-2
0.514
MIC-UNK-482af05e-2
0.514
ROB-CAM-4c532489-1
0.505
EDJ-MED-d1555997-1
0.505
EDJ-MED-ede277f6-4
0.504
EDJ-MED-ede277f6-8
0.504
EDJ-MED-ede277f6-6
0.504
NIR-WEI-dcc3321b-1
0.500
EDJ-MED-fb79a796-1
0.500
NIR-WEI-dcc3321b-4
0.496
EDJ-MED-ede277f6-7
0.496
JOH-UNI-ededfdb6-3
0.496
CLI-TLC-36f34aa2-1
0.496
EDJ-MED-fa7708b3-1
0.496
RAL-THA-ee48ba5f-1
0.496
EDJ-MED-009f762b-5
0.491
EDJ-MED-e9a22d5d-1
0.491
MAT-POS-e119ab4f-3
0.487
RAL-THA-ee48ba5f-5
0.487
MAT-POS-4223bc15-27
0.487
MAT-POS-4223bc15-26
0.487
NIR-WEI-dcc3321b-2
0.485
JOH-UNI-ededfdb6-7
0.483
JOH-UNI-ededfdb6-5
0.483
MAT-POS-61f37a1a-12
0.482
PET-UNK-162c14b2-1
0.482
MAT-UNK-04ae9652-1
0.479
MIC-UNK-51049f1a-2
0.479
MAT-UNK-f490e871-1
0.479
EDJ-MED-c40d95bc-1
0.475
JOH-UNI-ededfdb6-8
0.475
MAT-POS-4223bc15-28
0.474
MAT-UNK-35705829-1
0.470
RAL-THA-ee48ba5f-4
0.470
NIR-WEI-dcc3321b-5
0.469
MAT-POS-b4d6b7fc-8
0.467
MAT-POS-81ae2990-7
0.467
MIK-ENA-5d9157e9-3
0.466
MIK-ENA-5d9157e9-4
0.466
RAL-THA-ee48ba5f-2
0.466
EDJ-MED-0186a59b-8
0.466
NIR-WEI-dcc3321b-3
0.466
MAT-POS-dd3ad2b5-5
0.465
MAT-POS-4223bc15-19
0.464
RAL-THA-6e4c80cf-1
0.464
MAT-POS-81ae2990-8
0.463
EDJ-MED-12c4873b-3
0.461
RAL-THA-ee48ba5f-3
0.459
MAT-POS-81ae2990-1
0.459
MAT-POS-81ae2990-2
0.455
ALF-EVA-0e90125c-9
0.455
EDJ-MED-75baa495-3
0.454
MAT-POS-4223bc15-20
0.453
RAL-THA-6e4c80cf-2
0.453
CLI-TLC-3a13eaf2-1
0.453
MAT-POS-81ae2990-4
0.452