Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2c(N)ncc3ccccc23)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-ededfdb6-3
0.846
JOH-UNI-ededfdb6-6
0.740
JOH-UNI-ededfdb6-4
0.646
MAT-POS-4223bc15-23
0.643
MAT-POS-8293a91a-4
0.643
MAT-POS-8293a91a-5
0.643
JOH-UNI-ededfdb6-7
0.629
JOH-UNI-ededfdb6-9
0.587
EDJ-MED-7889e8da-3
0.573
EDJ-MED-0186a59b-2
0.573
MAT-POS-97ec4bd1-3
0.560
MAT-POS-4223bc15-25
0.559
JOH-UNI-ededfdb6-5
0.556
MIC-UNK-51049f1a-3
0.555
MIC-UNK-51049f1a-4
0.551
EDJ-MED-0186a59b-4
0.551
JOH-UNI-ededfdb6-1
0.551
MAT-POS-2e8b2191-10
0.550
EDJ-MED-fb79a796-1
0.549
ALP-POS-6f6ae286-5
0.546
EDJ-MED-0186a59b-1
0.546
EDJ-MED-7889e8da-1
0.546
BEN-DND-f06bfa8e-2
0.546
MAT-POS-5cd9ea36-15
0.546
EDJ-MED-7889e8da-5
0.545
EDJ-MED-0186a59b-3
0.545
MAT-POS-13080fc6-5
0.541
EDJ-MED-4f4dd660-1
0.540
MAT-POS-5cd9ea36-13
0.537
PET-UNK-c6bcc80b-2
0.531
MAT-POS-b4d6b7fc-1
0.531
PET-UNK-c6bcc80b-9
0.531
MAT-POS-4223bc15-21
0.529
EDJ-MED-c40d95bc-2
0.529
MAT-POS-4223bc15-24
0.523
MAT-POS-4223bc15-22
0.523
EDJ-MED-c82a5324-3
0.523
MAT-POS-13080fc6-6
0.522
ALP-POS-1460fd94-1
0.522
JOH-UNI-3267ef54-3
0.522
MAT-POS-b4d6b7fc-3
0.522
NIR-WEI-dcc3321b-6
0.518
JOH-UNI-7e3f498e-2
0.518
EDJ-MED-4f4dd660-3
0.517
EDJ-MED-4f4dd660-5
0.513
EDJ-MED-c82a5324-2
0.509
RAL-THA-ee48ba5f-5
0.505
JOH-UNI-ededfdb6-8
0.504
JOH-UNI-2440d4f3-3
0.500
JOH-UNI-2440d4f3-1
0.496
EDJ-MED-fa7708b3-1
0.486
RAL-THA-ee48ba5f-1
0.486
RAL-THA-ee48ba5f-4
0.486
EDJ-MED-e9a22d5d-1
0.481
NIR-WEI-dcc3321b-1
0.480
EDJ-MED-c40d95bc-1
0.479
MAT-POS-4223bc15-27
0.477
NIR-WEI-dcc3321b-4
0.476
MAT-UNK-35705829-1
0.473
PET-UNK-162c14b2-1
0.472
MAT-POS-61f37a1a-12
0.472
RAL-THA-ee48ba5f-2
0.469
MAT-UNK-f490e871-1
0.469
MAT-UNK-04ae9652-1
0.469
MAT-POS-4223bc15-28
0.464
MAT-POS-4223bc15-26
0.464
MIC-UNK-482af05e-2
0.464
EDJ-MED-ede277f6-5
0.462
CLI-TLC-36f34aa2-1
0.461
JOH-UNI-6b98e24c-3
0.461
NIR-WEI-dcc3321b-5
0.460
EDJ-MED-ede277f6-6
0.458
EDJ-MED-ede277f6-8
0.458
EDJ-MED-ede277f6-4
0.458
NIR-WEI-dcc3321b-3
0.457
MIC-UNK-482af05e-1
0.455
NIR-WEI-dcc3321b-2
0.453
EDJ-MED-ede277f6-9
0.453
EDJ-MED-fa7708b3-2
0.453
EDJ-MED-ede277f6-7
0.449
MAT-POS-dd3ad2b5-1
0.449
BEN-DND-f2e727cd-6
0.449
RAL-THA-ee48ba5f-6
0.448
PET-UNK-5ba9a1cb-3
0.444
PET-UNK-5ba9a1cb-2
0.444
EDJ-MED-009f762b-5
0.443
MAT-POS-4223bc15-20
0.442
RAL-THA-6e4c80cf-2
0.442
MAT-POS-dd3ad2b5-5
0.441
MAT-POS-4223bc15-6
0.441
MAT-POS-4223bc15-1
0.441
MAT-POS-dd3ad2b5-3
0.440
MAT-POS-dd3ad2b5-4
0.440
RAL-THA-6e4c80cf-1
0.440
MAT-POS-24589f88-2
0.440
MAT-POS-4223bc15-19
0.440
MAT-POS-24589f88-3
0.440
EDJ-MED-12c4873b-3
0.438
MAT-POS-4223bc15-2
0.438
RAL-THA-ee48ba5f-3
0.437