Molecular Properties | |
SMILES: | CC(C)NC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cnc(N)c3ccccc23)C1 |
MW: | 451.18 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 100.35 |
cLogP: | 3.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
JOH-UNI-ededfdb6-4
0.835
JOH-UNI-ededfdb6-8
0.758
JOH-UNI-ededfdb6-1
0.683
JOH-UNI-ededfdb6-3
0.670
JOH-UNI-ededfdb6-9
0.625
JOH-UNI-ededfdb6-7
0.591
MAT-POS-4223bc15-23
0.557
MAT-POS-8293a91a-5
0.557
MAT-POS-8293a91a-4
0.557
JOH-UNI-ededfdb6-2
0.556
MAT-POS-5cd9ea36-15
0.555
MAT-POS-4223bc15-25
0.538
NIR-WEI-dcc3321b-4
0.533
MAT-POS-5cd9ea36-13
0.532
EDJ-MED-c82a5324-3
0.531
EDJ-MED-c40d95bc-2
0.523
MAT-POS-4223bc15-21
0.523
EDJ-MED-0186a59b-2
0.523
EDJ-MED-7889e8da-3
0.523
MAT-POS-4223bc15-22
0.518
MAT-POS-4223bc15-24
0.518
EDJ-MED-c82a5324-2
0.518
NIR-WEI-dcc3321b-6
0.513
ALP-POS-6f6ae286-5
0.500
BEN-DND-f06bfa8e-2
0.500
EDJ-MED-0186a59b-1
0.500
MAT-POS-97ec4bd1-3
0.500
EDJ-MED-7889e8da-1
0.500
MAT-UNK-35705829-1
0.496
EDJ-MED-ede277f6-4
0.492
MAT-POS-2e8b2191-10
0.492
MIC-UNK-51049f1a-4
0.491
EDJ-MED-0186a59b-4
0.491
PET-UNK-c6bcc80b-2
0.487
PET-UNK-c6bcc80b-9
0.487
EDJ-MED-7889e8da-5
0.487
EDJ-MED-0186a59b-3
0.487
JOH-UNI-ededfdb6-6
0.487
RAL-THA-ee48ba5f-5
0.486
EDJ-MED-4f4dd660-1
0.483
EDJ-MED-ede277f6-5
0.483
MIC-UNK-51049f1a-3
0.483
EDJ-MED-ede277f6-6
0.479
ALP-POS-1460fd94-1
0.479
MAT-UNK-f490e871-1
0.478
EDJ-MED-e9a22d5d-1
0.477
EDJ-MED-c40d95bc-1
0.475
MAT-POS-b4d6b7fc-1
0.475
MAT-POS-4223bc15-27
0.473
MIC-UNK-482af05e-2
0.473
EDJ-MED-ede277f6-7
0.471
RAL-THA-ee48ba5f-4
0.469
PET-UNK-162c14b2-1
0.468
MAT-POS-61f37a1a-12
0.468
EDJ-MED-ede277f6-8
0.467
MAT-POS-b4d6b7fc-3
0.467
MAT-UNK-04ae9652-1
0.466
MIC-UNK-482af05e-1
0.465
NIR-WEI-dcc3321b-1
0.465
EDJ-MED-4f4dd660-3
0.463
EDJ-MED-fa7708b3-2
0.462
EDJ-MED-ede277f6-9
0.462
NIR-WEI-dcc3321b-2
0.462
MAT-POS-4223bc15-28
0.461
MAT-POS-4223bc15-26
0.460
EDJ-MED-4f4dd660-5
0.460
CLI-TLC-36f34aa2-1
0.458
RAL-THA-ee48ba5f-1
0.457
EDJ-MED-fa7708b3-1
0.457
NIR-WEI-dcc3321b-5
0.457
NIR-WEI-dcc3321b-3
0.454
EDJ-MED-009f762b-5
0.453
RAL-THA-ee48ba5f-2
0.453
MAT-POS-4223bc15-20
0.452
RAL-THA-6e4c80cf-2
0.452
RAL-THA-6e4c80cf-1
0.450
MAT-POS-4223bc15-19
0.450
JOH-UNI-2440d4f3-4
0.450
JOH-UNI-3267ef54-2
0.450
EDJ-MED-fb79a796-1
0.446
EDJ-MED-fa7708b3-3
0.446
MAT-POS-13080fc6-5
0.446
MAT-POS-dd3ad2b5-1
0.445
BEN-DND-f2e727cd-6
0.445
RAL-THA-ee48ba5f-6
0.445
JOH-UNI-2440d4f3-2
0.443
MAT-POS-13080fc6-6
0.443
ALF-EVA-0e90125c-9
0.442
PET-UNK-5ba9a1cb-2
0.442
PET-UNK-5ba9a1cb-3
0.442
JOH-UNI-7e3f498e-3
0.438
MAT-POS-dd3ad2b5-3
0.438
PET-UNK-d61f3ea6-2
0.435
RAL-THA-ee48ba5f-3
0.434
MAT-POS-5cd9ea36-4
0.432
MAT-POS-4223bc15-18
0.430
DAR-DIA-4987d2cd-1
0.429
EDJ-MED-76744c27-5
0.429
PET-UNK-5ba9a1cb-1
0.426
MAT-POS-4223bc15-6
0.426