Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cnc(N)c3ccccc23)C1 |
MW: | 423.15 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 100.35 |
cLogP: | 2.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
JOH-UNI-ededfdb6-5
0.835
JOH-UNI-ededfdb6-9
0.745
MAT-POS-8293a91a-5
0.667
MAT-POS-4223bc15-23
0.667
MAT-POS-8293a91a-4
0.667
JOH-UNI-ededfdb6-2
0.646
EDJ-MED-7889e8da-3
0.626
EDJ-MED-0186a59b-2
0.626
JOH-UNI-ededfdb6-8
0.625
EDJ-MED-7889e8da-1
0.596
BEN-DND-f06bfa8e-2
0.596
ALP-POS-6f6ae286-5
0.596
EDJ-MED-0186a59b-1
0.596
MAT-POS-97ec4bd1-3
0.594
MAT-POS-5cd9ea36-15
0.581
EDJ-MED-7889e8da-5
0.579
EDJ-MED-0186a59b-3
0.579
PET-UNK-c6bcc80b-9
0.578
PET-UNK-c6bcc80b-2
0.578
EDJ-MED-4f4dd660-1
0.573
MIC-UNK-51049f1a-4
0.571
EDJ-MED-0186a59b-4
0.571
MAT-POS-2e8b2191-10
0.569
ALP-POS-1460fd94-1
0.569
JOH-UNI-ededfdb6-6
0.566
MAT-POS-4223bc15-25
0.564
MAT-POS-b4d6b7fc-1
0.564
MAT-POS-5cd9ea36-13
0.557
JOH-UNI-ededfdb6-1
0.557
EDJ-MED-c82a5324-3
0.556
MAT-POS-b4d6b7fc-3
0.554
EDJ-MED-c40d95bc-2
0.549
MAT-POS-4223bc15-21
0.549
EDJ-MED-4f4dd660-3
0.549
JOH-UNI-ededfdb6-3
0.546
MIC-UNK-51049f1a-3
0.545
EDJ-MED-4f4dd660-5
0.544
MAT-POS-4223bc15-24
0.543
MAT-POS-4223bc15-22
0.543
EDJ-MED-c82a5324-2
0.541
EDJ-MED-fb79a796-1
0.539
NIR-WEI-dcc3321b-6
0.536
MAT-POS-13080fc6-5
0.532
MAT-POS-13080fc6-6
0.527
MAT-UNK-35705829-1
0.519
MAT-UNK-f490e871-1
0.514
EDJ-MED-ede277f6-4
0.513
RAL-THA-ee48ba5f-5
0.509
MAT-UNK-04ae9652-1
0.500
EDJ-MED-ede277f6-6
0.500
EDJ-MED-e9a22d5d-1
0.500
EDJ-MED-c40d95bc-1
0.496
MAT-POS-4223bc15-27
0.495
NIR-WEI-dcc3321b-4
0.492
EDJ-MED-ede277f6-5
0.491
EDJ-MED-ede277f6-7
0.491
EDJ-MED-fa7708b3-1
0.491
RAL-THA-ee48ba5f-1
0.491
RAL-THA-ee48ba5f-4
0.491
PET-UNK-162c14b2-1
0.491
MAT-POS-61f37a1a-12
0.491
EDJ-MED-ede277f6-8
0.487
NIR-WEI-dcc3321b-1
0.484
JOH-UNI-3267ef54-2
0.482
EDJ-MED-fa7708b3-2
0.482
JOH-UNI-2440d4f3-4
0.482
MAT-POS-4223bc15-28
0.482
MIC-UNK-482af05e-2
0.481
MAT-POS-4223bc15-26
0.481
JOH-UNI-ededfdb6-7
0.478
CLI-TLC-36f34aa2-1
0.478
NIR-WEI-dcc3321b-5
0.475
RAL-THA-ee48ba5f-2
0.473
EDJ-MED-009f762b-5
0.473
MIC-UNK-482af05e-1
0.473
MAT-POS-dd3ad2b5-5
0.472
NIR-WEI-dcc3321b-3
0.472
EDJ-MED-ede277f6-9
0.470
JOH-UNI-7e3f498e-3
0.470
NIR-WEI-dcc3321b-2
0.468
BEN-DND-f2e727cd-6
0.467
MAT-POS-dd3ad2b5-1
0.467
EDJ-MED-fa7708b3-3
0.466
RAL-THA-ee48ba5f-6
0.465
JOH-UNI-2440d4f3-2
0.462
PET-UNK-5ba9a1cb-2
0.461
ALF-EVA-0e90125c-9
0.461
PET-UNK-5ba9a1cb-3
0.461
MAT-POS-4223bc15-20
0.459
RAL-THA-6e4c80cf-2
0.459
MAT-POS-4223bc15-19
0.458
MAT-POS-dd3ad2b5-3
0.458
RAL-THA-6e4c80cf-1
0.458
EDJ-MED-12c4873b-3
0.455
PET-UNK-d61f3ea6-2
0.455
CLI-TLC-3a13eaf2-1
0.446
MAT-POS-4223bc15-6
0.445
MAT-POS-4223bc15-1
0.445
PET-UNK-5ba9a1cb-1
0.444
MAT-POS-24589f88-3
0.444