Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cnc(OC)c3ccccc23)C1 |
MW: | 438.15 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 83.56 |
cLogP: | 3.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOH-UNI-ededfdb6-8
0.839
JOH-UNI-ededfdb6-4
0.745
MAT-POS-8293a91a-4
0.653
MAT-POS-4223bc15-23
0.653
MAT-POS-8293a91a-5
0.653
JOH-UNI-ededfdb6-6
0.647
JOH-UNI-ededfdb6-5
0.625
EDJ-MED-7889e8da-3
0.614
EDJ-MED-0186a59b-2
0.614
ALP-POS-1460fd94-1
0.587
JOH-UNI-ededfdb6-2
0.587
BEN-DND-f06bfa8e-2
0.585
EDJ-MED-7889e8da-1
0.585
ALP-POS-6f6ae286-5
0.585
EDJ-MED-0186a59b-1
0.585
EDJ-MED-0186a59b-4
0.575
MAT-POS-97ec4bd1-3
0.569
EDJ-MED-7889e8da-5
0.569
EDJ-MED-0186a59b-3
0.569
MAT-POS-4223bc15-22
0.562
MIC-UNK-51049f1a-4
0.561
MAT-POS-2e8b2191-10
0.559
MAT-POS-5cd9ea36-15
0.556
MAT-POS-b4d6b7fc-1
0.554
PET-UNK-c6bcc80b-2
0.554
PET-UNK-c6bcc80b-9
0.554
JOH-UNI-ededfdb6-7
0.550
EDJ-MED-4f4dd660-1
0.549
JOH-UNI-ededfdb6-1
0.546
MAT-POS-b4d6b7fc-3
0.544
EDJ-MED-4f4dd660-3
0.539
MAT-POS-4223bc15-21
0.538
MAT-POS-4223bc15-25
0.538
EDJ-MED-c40d95bc-2
0.538
MIC-UNK-51049f1a-3
0.536
EDJ-MED-4f4dd660-5
0.534
MAT-POS-4223bc15-24
0.533
MAT-POS-5cd9ea36-13
0.532
EDJ-MED-c82a5324-3
0.532
EDJ-MED-fb79a796-1
0.529
NIR-WEI-dcc3321b-6
0.527
MAT-POS-13080fc6-5
0.522
EDJ-MED-c82a5324-2
0.518
MAT-POS-13080fc6-6
0.518
JOH-UNI-f51e3bbc-2
0.505
MAT-POS-4223bc15-28
0.500
JOH-UNI-ededfdb6-3
0.496
EDJ-MED-ede277f6-4
0.491
EDJ-MED-e9a22d5d-1
0.491
NIR-WEI-dcc3321b-1
0.488
EDJ-MED-c40d95bc-1
0.487
MAT-POS-4223bc15-27
0.486
RAL-THA-ee48ba5f-5
0.486
EDJ-MED-ede277f6-5
0.483
EDJ-MED-fa7708b3-1
0.482
RAL-THA-ee48ba5f-1
0.482
MAT-POS-61f37a1a-12
0.481
PET-UNK-162c14b2-1
0.481
EDJ-MED-ede277f6-6
0.479
MAT-UNK-f490e871-1
0.478
MAT-UNK-04ae9652-1
0.478
MAT-POS-4223bc15-19
0.477
RAL-THA-6e4c80cf-1
0.477
JOH-UNI-2440d4f3-4
0.474
JOH-UNI-3267ef54-2
0.474
MIC-UNK-482af05e-2
0.473
MAT-POS-4223bc15-26
0.473
NIR-WEI-dcc3321b-4
0.472
EDJ-MED-ede277f6-7
0.470
CLI-TLC-36f34aa2-1
0.470
MAT-UNK-35705829-1
0.469
RAL-THA-ee48ba5f-4
0.468
NIR-WEI-dcc3321b-5
0.468
EDJ-MED-ede277f6-8
0.467
EDJ-MED-009f762b-5
0.465
RAL-THA-ee48ba5f-2
0.465
NIR-WEI-dcc3321b-3
0.465
MIC-UNK-482af05e-1
0.464
JOH-UNI-7e3f498e-3
0.462
EDJ-MED-ede277f6-9
0.462
JOH-UNI-2440d4f3-2
0.454
PET-UNK-5ba9a1cb-2
0.453
PET-UNK-5ba9a1cb-3
0.453
RAL-THA-6e4c80cf-2
0.451
CLI-TLC-3a13eaf2-1
0.451
MAT-POS-4223bc15-20
0.451
MAT-POS-dd3ad2b5-5
0.450
NIR-WEI-dcc3321b-2
0.450
EDJ-MED-fa7708b3-2
0.449
EDJ-MED-12c4873b-3
0.446
EDJ-MED-76744c27-2
0.445
EDJ-MED-76744c27-7
0.445
EDJ-MED-fa7708b3-3
0.445
MAT-POS-dd3ad2b5-1
0.444
BEN-DND-f2e727cd-6
0.444
RAL-THA-ee48ba5f-6
0.444
ALF-EVA-0e90125c-9
0.441
MAT-POS-4223bc15-4
0.441
PET-UNK-af70882d-4
0.440
MAT-POS-af1eef35-2
0.438