Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2nncn2C2CC2)C1 |
MW: | 388.14 |
Fraction sp3: | 0.44 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 92.15 |
cLogP: | 1.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-a3ef7265-20
EDJ-MED-fb79a796-3
0.602
EDJ-MED-fb79a796-2
0.583
MAT-POS-8293a91a-4
0.566
MAT-POS-8293a91a-5
0.566
MAT-POS-4223bc15-23
0.566
JOH-UNI-ededfdb6-2
0.549
EDJ-MED-7889e8da-3
0.545
EDJ-MED-0186a59b-2
0.545
JOH-UNI-ededfdb6-4
0.539
RAL-THA-5ed3c24e-1
0.538
RAL-THA-5ed3c24e-2
0.538
JOH-UNI-ededfdb6-6
0.533
JOH-UNI-ededfdb6-9
0.529
EDJ-MED-0186a59b-4
0.524
MIC-UNK-51049f1a-4
0.524
ALP-POS-6f6ae286-5
0.519
EDJ-MED-7889e8da-1
0.519
BEN-DND-f06bfa8e-2
0.519
EDJ-MED-0186a59b-1
0.519
MAT-POS-97ec4bd1-3
0.519
MAT-POS-13080fc6-5
0.514
MAT-POS-2e8b2191-10
0.509
ALP-POS-1460fd94-1
0.509
EDJ-MED-7889e8da-5
0.505
EDJ-MED-0186a59b-3
0.505
MAT-POS-b4d6b7fc-1
0.505
MIC-UNK-51049f1a-3
0.500
MAT-POS-13080fc6-6
0.495
PET-UNK-c6bcc80b-2
0.491
PET-UNK-c6bcc80b-9
0.491
EDJ-MED-4f4dd660-1
0.487
MAT-POS-b4d6b7fc-3
0.482
EDJ-MED-4f4dd660-3
0.478
EDJ-MED-4f4dd660-5
0.474
JAN-GHE-299e5c7e-3
0.473
MAT-POS-4223bc15-25
0.471
RAL-THA-f8a0f917-3
0.469
MIK-NEW-7f99bfc4-1
0.469
NAU-LAT-8502cac5-2
0.468
MIC-UNK-deda7a44-5
0.468
JAG-UCB-c61058a9-18
0.468
MAT-POS-5cd9ea36-13
0.468
JOH-UNI-ededfdb6-1
0.468
MAT-POS-5cd9ea36-15
0.464
JOH-UNI-ededfdb6-3
0.459
EDG-MED-fe7487f8-10
0.458
EDG-MED-fe7487f8-4
0.458
MAT-POS-4223bc15-21
0.457
EDJ-MED-c40d95bc-2
0.457
EDJ-MED-c82a5324-3
0.455
EDG-MED-fe7487f8-11
0.455
MAT-POS-4223bc15-24
0.454
MAT-POS-4223bc15-22
0.454
MAT-POS-968e8d9c-1
0.454
RAL-THA-5ed3c24e-3
0.454
JAG-UCB-a3ef7265-20
0.454
JAG-UCB-119787ef-1
0.454
NIR-WEI-dcc3321b-6
0.451
EDG-MED-fe7487f8-5
0.450
JOH-UNI-ededfdb6-7
0.447
JOH-UNI-ededfdb6-5
0.446
EDJ-MED-c82a5324-2
0.442
EDG-MED-fe7487f8-2
0.440
EDG-MED-4b32601a-1
0.440
JOH-UNI-ededfdb6-8
0.439
JAN-GHE-299e5c7e-4
0.429
EDJ-MED-ede277f6-9
0.426
EDJ-MED-ede277f6-5
0.422
EDJ-MED-ede277f6-7
0.422
RAL-THA-ee48ba5f-5
0.422
EDJ-MED-ede277f6-8
0.420
EDJ-MED-fa7708b3-1
0.420
RAL-THA-ee48ba5f-1
0.420
EDJ-MED-ede277f6-4
0.419
RAL-THA-ee48ba5f-4
0.418
EDJ-MED-009f762b-5
0.416
ERI-UCB-9c7ec71b-4
0.416
JAN-GHE-299e5c7e-5
0.415
EDJ-MED-e9a22d5d-1
0.413
NIR-WEI-dcc3321b-5
0.411
NIR-WEI-dcc3321b-3
0.409
MAT-POS-4223bc15-27
0.409
EDJ-MED-ede277f6-6
0.408
NIR-WEI-dcc3321b-1
0.408
NIR-WEI-dcc3321b-4
0.405
PET-UNK-162c14b2-1
0.404
MAT-POS-61f37a1a-12
0.404
RAL-THA-ee48ba5f-2
0.404
MAT-UNK-f490e871-1
0.404
MAT-UNK-04ae9652-1
0.404
EDJ-MED-c40d95bc-1
0.403
MAT-POS-4223bc15-28
0.398
NAU-LAT-e1818702-1
0.398
JAN-GHE-f4ca5a00-12
0.398
CLI-TLC-36f34aa2-1
0.397
MAT-POS-4223bc15-26
0.396
MIC-UNK-482af05e-2
0.396
NAU-LAT-8502cac5-3
0.396
MAT-UNK-35705829-1
0.395
ADA-UCB-b1b30a00-7
0.393