Molecular Properties | |
SMILES: | O=C(CCc1cc[nH]n1)N(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1 |
MW: | 419.11 |
Fraction sp3: | 0.09 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 90.98 |
cLogP: | 4.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter93_acetyl_urea
VLA-UCB-34f3ed0c-7
0.598
VLA-UCB-34f3ed0c-6
0.588
ADA-UCB-dc2b944c-18
0.576
MIC-UNK-bcd487e9-7
0.535
MIC-UNK-bcd487e9-1
0.521
MIC-UNK-cdc2493e-23
0.520
MIC-UNK-cdc2493e-3
0.520
MIC-UNK-cdc2493e-19
0.520
MIC-UNK-bcd487e9-3
0.505
MIC-UNK-bcd487e9-5
0.505
MIC-UNK-bcd487e9-8
0.505
MIC-UNK-cdc2493e-16
0.505
MIC-UNK-cdc2493e-1
0.500
MIC-UNK-bcd487e9-9
0.500
VLA-UCB-34f3ed0c-13
0.495
MIC-UNK-bcd487e9-10
0.495
MIC-UNK-bcd487e9-2
0.495
MIC-UNK-cdc2493e-22
0.490
VLA-UCB-05e51b3f-14
0.490
EDJ-MED-c314995a-1
0.490
MIC-UNK-cdc2493e-24
0.490
MIC-UNK-bcd487e9-4
0.485
MIC-UNK-bcd487e9-6
0.485
MIC-UNK-cdc2493e-6
0.480
MIC-UNK-cdc2493e-2
0.476
MIC-UNK-cdc2493e-15
0.476
MIC-UNK-cdc2493e-11
0.475
MIC-UNK-d36ab305-5
0.475
FRA-DIA-13af2da5-1
0.475
PET-UNK-a17c93d1-1
0.472
MIC-UNK-cdc2493e-17
0.471
VLA-UCB-34f3ed0c-8
0.470
MIC-UNK-cdc2493e-4
0.466
MIC-UNK-cdc2493e-12
0.466
MIC-UNK-cdc2493e-5
0.466
MIC-UNK-d36ab305-2
0.465
ADA-UCB-dc2b944c-6
0.463
MIC-UNK-cdc2493e-20
0.462
ALP-POS-f13221e1-3
0.457
MIC-UNK-cdc2493e-18
0.457
MIC-UNK-cdc2493e-21
0.453
MIC-UNK-cdc2493e-9
0.453
MIC-UNK-cdc2493e-8
0.450
VLA-UCB-34f3ed0c-10
0.449
MIC-UNK-cdc2493e-10
0.449
ALP-POS-f13221e1-2
0.448
NAU-LAT-2fed8305-2
0.448
MIC-UNK-cdc2493e-7
0.444
MIC-UNK-cdc2493e-14
0.441
ADA-UCB-6c2cb422-1
0.441
NAU-LAT-2fed8305-7
0.439
MIC-UNK-cdc2493e-13
0.436
ALP-POS-ddb41b15-6
0.432
RYA-UNI-14580791-1
0.429
NAU-LAT-2fed8305-1
0.427
VLA-UCB-34f3ed0c-4
0.424
MIC-UNK-c66144cb-2
0.421
MIC-UNK-c66144cb-1
0.417
EDG-MED-4c68219f-15
0.415
VLA-UNK-9a7dc93f-7
0.414
VLA-UCB-34f3ed0c-3
0.412
PET-UNK-3c72d439-1
0.408
JOH-UNI-ee5ed7c8-6
0.408
JOH-UNI-3fc3434e-6
0.408
MAT-POS-afd4d4fd-2
0.406
ADA-UCB-dc2b944c-3
0.405
ADA-UCB-dc2b944c-17
0.405
MAT-POS-fce787c2-2
0.404
RAL-THA-1d44ff04-11
0.404
NAU-LAT-30527ac5-1
0.404
ADA-UCB-dc2b944c-2
0.404
ALF-EVA-650655fc-1
0.400
PET-UNK-dd44aeb6-2
0.398
RAL-THA-2d450e86-24
0.398
EDJ-MED-cf4b0d25-5
0.391
RAL-THA-2d450e86-30
0.389
MIC-UNK-d36ab305-4
0.389
EDJ-MED-cf4b0d25-4
0.388
BEN-DND-d1eb1f41-6
0.388
DAR-DIA-2964957d-9
0.388
EDG-MED-90036822-34
0.388
DAR-DIA-0587064e-6
0.387
ALF-EVA-650655fc-2
0.387
MAK-UNK-ffc90da7-7
0.385
PET-UNK-8c422e11-1
0.385
EDJ-MED-ee07cf00-12
0.385
EDJ-MED-12c115cc-2
0.385
MAT-POS-f7918075-2
0.385
MAT-POS-bbbbc21a-2
0.385
EDJ-MED-12c115cc-1
0.385
MIC-UNK-c66144cb-3
0.384
ALP-POS-3b848b35-4
0.384
PET-UNK-b87f07d0-3
0.384
RAL-THA-2d450e86-25
0.384
RAL-THA-2d450e86-19
0.384
PET-UNK-dd44aeb6-1
0.384
RAL-THA-2d450e86-27
0.384
LON-WEI-af038623-3
0.384
MAT-POS-78e1d523-1
0.383
MAT-POS-4223bc15-24
0.383