Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2c(OC)ncc3ccccc23)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-ededfdb6-7
0.851
JOH-UNI-ededfdb6-2
0.740
JOH-UNI-ededfdb6-9
0.647
JOH-UNI-ededfdb6-3
0.629
MAT-POS-4223bc15-23
0.624
MAT-POS-8293a91a-5
0.624
MAT-POS-8293a91a-4
0.624
JOH-UNI-ededfdb6-4
0.566
JOH-UNI-ededfdb6-8
0.559
EDJ-MED-0186a59b-2
0.557
EDJ-MED-7889e8da-3
0.557
ALP-POS-1460fd94-1
0.549
MIC-UNK-51049f1a-3
0.540
MAT-POS-4223bc15-22
0.537
EDJ-MED-0186a59b-4
0.536
JOH-UNI-ededfdb6-1
0.536
MIC-UNK-51049f1a-4
0.536
EDJ-MED-fb79a796-1
0.533
MAT-POS-5cd9ea36-15
0.532
ALP-POS-6f6ae286-5
0.532
EDJ-MED-7889e8da-1
0.532
BEN-DND-f06bfa8e-2
0.532
EDJ-MED-0186a59b-1
0.532
MAT-POS-97ec4bd1-3
0.531
JOH-UNI-f51e3bbc-4
0.528
MAT-POS-4223bc15-24
0.523
MAT-POS-2e8b2191-10
0.522
JOH-UNI-3267ef54-3
0.522
EDJ-MED-7889e8da-5
0.518
EDJ-MED-0186a59b-3
0.518
EDJ-MED-c40d95bc-2
0.514
MAT-POS-4223bc15-25
0.514
MAT-POS-4223bc15-21
0.514
MAT-POS-13080fc6-5
0.513
MAT-POS-5cd9ea36-13
0.509
EDJ-MED-c82a5324-3
0.509
MAT-POS-b4d6b7fc-3
0.508
NIR-WEI-dcc3321b-6
0.504
MAT-POS-b4d6b7fc-1
0.504
PET-UNK-c6bcc80b-9
0.504
JOH-UNI-7e3f498e-2
0.504
PET-UNK-c6bcc80b-2
0.504
JOH-UNI-2440d4f3-3
0.500
EDJ-MED-4f4dd660-1
0.500
JOH-UNI-2440d4f3-1
0.496
MAT-POS-13080fc6-6
0.496
EDJ-MED-c82a5324-2
0.496
EDJ-MED-4f4dd660-3
0.492
EDJ-MED-4f4dd660-5
0.488
JOH-UNI-ededfdb6-5
0.487
MAT-POS-4223bc15-28
0.478
NIR-WEI-dcc3321b-5
0.472
MAT-UNK-04ae9652-1
0.470
MAT-UNK-f490e871-1
0.470
EDJ-MED-e9a22d5d-1
0.468
NIR-WEI-dcc3321b-1
0.468
EDJ-MED-c40d95bc-1
0.467
RAL-THA-ee48ba5f-5
0.464
MAT-POS-4223bc15-27
0.464
RAL-THA-ee48ba5f-1
0.461
MAT-UNK-35705829-1
0.461
EDJ-MED-fa7708b3-1
0.461
PET-UNK-162c14b2-1
0.459
MAT-POS-61f37a1a-12
0.459
NIR-WEI-dcc3321b-3
0.457
MAT-POS-4223bc15-19
0.455
RAL-THA-6e4c80cf-1
0.455
NIR-WEI-dcc3321b-4
0.453
MAT-POS-4223bc15-26
0.451
MIC-UNK-482af05e-2
0.451
EDJ-MED-ede277f6-5
0.450
JOH-UNI-6b98e24c-3
0.449
CLI-TLC-36f34aa2-1
0.449
RAL-THA-ee48ba5f-4
0.447
EDJ-MED-ede277f6-4
0.446
EDJ-MED-009f762b-5
0.444
RAL-THA-ee48ba5f-2
0.444
RAL-THA-6e4c80cf-2
0.443
MIC-UNK-482af05e-1
0.443
MAT-POS-4223bc15-20
0.443
NIR-WEI-dcc3321b-2
0.443
EDJ-MED-ede277f6-6
0.435
PET-UNK-5ba9a1cb-2
0.433
PET-UNK-5ba9a1cb-3
0.433
PET-UNK-af70882d-4
0.432
MAT-POS-dd3ad2b5-5
0.430
EDJ-MED-ede277f6-9
0.430
EDJ-MED-fa7708b3-2
0.430
MAT-POS-dc2604c4-2
0.427
EDJ-MED-fa7708b3-3
0.426
EDJ-MED-ede277f6-7
0.426
EDJ-MED-12c4873b-3
0.426
RAL-THA-ee48ba5f-6
0.425
EDJ-MED-ede277f6-8
0.424
MAT-POS-5cd9ea36-14
0.424
DAR-DIA-d8bd013f-1
0.424
EDJ-MED-12c4873b-1
0.424
DAR-DIA-d8bd013f-3
0.424
MAT-POS-dd3ad2b5-1
0.423
BEN-DND-f2e727cd-6
0.423