Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)C(C(=O)C(C)c1cccc(Cl)c1)c1cnccc1C |
MW: | 407.14 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 71.95 |
cLogP: | 4.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Ketones
Ketone
Dye 11
oxy-amide
MAK-UNK-6435e6c2-8
TRY-UNI-2eddb1ff-5
0.676
JAN-GHE-83b26c96-4
0.676
JAN-GHE-83b26c96-5
0.676
TRY-UNI-2eddb1ff-4
0.676
TRY-UNI-714a760b-18
0.676
MAT-POS-1e5f28a7-1
0.597
EDG-MED-0da5ad92-5
0.579
JAN-GHE-83b26c96-9
0.579
MAK-UNK-f203cb68-10
0.576
JAN-GHE-83b26c96-10
0.564
MAK-UNK-f203cb68-4
0.552
JAN-GHE-83b26c96-8
0.543
MAK-UNK-f203cb68-21
0.534
SAM-UNK-2684b532-7
0.532
MAK-UNK-f203cb68-22
0.528
SAM-UNK-2684b532-1
0.524
MAK-UNK-f203cb68-3
0.506
TRY-UNI-9f475305-3
0.506
SAM-UNK-2684b532-3
0.506
MAK-UNK-f203cb68-20
0.500
NAU-LAT-a5c7d7cb-3
0.489
VLA-UCB-05e51b3f-2
0.489
SAM-UNK-2684b532-5
0.482
TRY-UNI-2eddb1ff-3
0.481
MAK-UNK-f203cb68-1
0.473
JAN-GHE-83b26c96-2
0.470
MAK-UNK-6ca90168-24
0.468
TRY-UNI-714a760b-6
0.468
SAM-UNK-2684b532-6
0.464
TRY-UNI-714a760b-22
0.464
ADA-UCB-6c2cb422-9
0.463
DAR-DIA-0cde14eb-11
0.460
DAR-DIA-0cde14eb-12
0.460
JAG-UCB-cedd89ab-8
0.456
TRY-UNI-714a760b-12
0.456
TRY-UNI-714a760b-17
0.455
AHN-SAT-202241f6-1
0.455
JAN-GHE-83b26c96-3
0.449
DAR-DIA-0cde14eb-10
0.448
MAK-UNK-f203cb68-15
0.448
ALP-POS-ddb41b15-1
0.446
DAR-DIA-0cde14eb-13
0.443
MAK-UNK-f203cb68-12
0.442
BAR-COM-0f94fc3d-19
0.440
TRY-UNI-714a760b-15
0.440
JAN-GHE-83b26c96-22
0.439
EDG-MED-0da5ad92-10
0.439
MAT-POS-590ac91e-1
0.438
ERI-UCB-5b47150d-1
0.438
MAT-POS-590ac91e-2
0.438
MAK-UNK-f203cb68-2
0.438
MAK-UNK-f203cb68-16
0.437
MAK-UNK-f203cb68-17
0.437
MAK-UNK-f203cb68-13
0.436
EDG-MED-0da5ad92-6
0.432
ALP-POS-f13221e1-4
0.429
MAK-UNK-f203cb68-11
0.429
DAR-DIA-0cde14eb-15
0.429
EDG-MED-0da5ad92-3
0.427
EDG-MED-0da5ad92-19
0.427
TRY-UNI-2eddb1ff-8
0.426
BEN-DND-93268d01-3
0.425
MAK-UNK-f203cb68-18
0.422
MAK-UNK-f203cb68-14
0.416
MAT-POS-5d20d11c-1
0.416
MAT-POS-590ac91e-16
0.416
MAK-UNK-f203cb68-7
0.415
BEN-DND-93268d01-14
0.415
ABI-SAT-4d06482b-1
0.412
JAN-GHE-83b26c96-23
0.412
MAK-UNK-f203cb68-6
0.409
JAN-GHE-83b26c96-6
0.407
EDG-MED-0da5ad92-11
0.407
JAN-GHE-83b26c96-20
0.407
BEN-DND-93268d01-2
0.405
MAK-UNK-f203cb68-5
0.404
MAT-POS-590ac91e-13
0.403
WIL-MOD-03b86a88-3
0.400
BAR-COM-0f94fc3d-38
0.398
EDJ-MED-e58735b6-2
0.398
RYA-UNI-9b5114df-1
0.396
EDG-MED-0da5ad92-20
0.394
MAK-UNK-f203cb68-8
0.394
MAK-UNK-f203cb68-9
0.394
SAM-UNK-2684b532-2
0.393
BAR-COM-0f94fc3d-25
0.393
JAN-GHE-83b26c96-7
0.391
RIT-AID-a492ba81-1
0.390
SAD-SAT-7d5528d9-7
0.389
MAT-POS-590ac91e-5
0.383
MAR-TRE-4b834d9a-26
0.381
MAT-POS-bb423b95-5
0.379
SAM-UNK-2684b532-4
0.379
DAR-DIA-0cde14eb-70
0.378
BAR-COM-0f94fc3d-58
0.378
ALP-POS-3fc1724e-7
0.375
DAN-RED-da448e80-9
0.374
JAN-GHE-83b26c96-21
0.373
AAR-POS-d2a4d1df-3
0.371
MAK-UNK-6435e6c2-8
0.371