Molecular Properties | |
SMILES: | CNc1ccc(N(C(=O)Nn2cnc3ccccc3c2=O)c2cccc(Cl)c2)cc1 |
MW: | 419.11 |
Fraction sp3: | 0.05 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 79.26 |
cLogP: | 4.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
MAT-POS-06036648-8
0.663
JAN-GHE-f4ca5a00-10
0.557
JAN-GHE-5a013bed-3
0.506
JAN-GHE-f4ca5a00-5
0.439
MAT-POS-06036648-5
0.438
JAN-GHE-f4ca5a00-8
0.435
JAN-GHE-f4ca5a00-2
0.434
MIC-UNK-d36ab305-2
0.418
KRI-MAR-d2e3ef86-19
0.410
UNK-UNK-2ede4078-25
0.410
FRA-DIA-13af2da5-1
0.384
MIC-UNK-d36ab305-5
0.384
JAN-GHE-74b8b0cb-2
0.378
JAN-GHE-74b8b0cb-1
0.377
MIC-UNK-d36ab305-3
0.365
JAN-GHE-f4ca5a00-9
0.347
MAT-POS-06036648-3
0.343
SAM-UNK-2684b532-2
0.333
MAT-POS-06036648-6
0.330
EDG-MED-0da5ad92-19
0.330
MIC-UNK-d36ab305-6
0.327
MAT-POS-06036648-1
0.320
DAR-DIA-667e571f-3
0.317
MIC-UNK-bcd487e9-10
0.315
SEA-TRI-04ff6e57-1
0.309
MAR-TRE-3e4e6814-41
0.307
MAR-TRE-b77b7921-55
0.300
SEA-TRI-f62e8c25-1
0.297
MIC-UNK-cdc2493e-23
0.296
JAN-GHE-5a013bed-2
0.292
BAR-COM-0f94fc3d-24
0.290
BEN-DND-61647d40-13
0.289
BEN-DND-02317c5c-11
0.289
JIN-POS-6dc588a4-1
0.289
MIC-UNK-cdc2493e-16
0.288
MAR-TRE-fd17a9b8-41
0.286
MIC-UNK-bcd487e9-5
0.284
MIC-UNK-cdc2493e-19
0.284
MAR-TRE-3e4e6814-61
0.284
MAT-POS-3b92565d-10
0.282
MIC-UNK-cdc2493e-24
0.277
MAR-TRE-4b834d9a-97
0.276
BAR-COM-0f94fc3d-10
0.275
MIC-UNK-cdc2493e-18
0.274
MIC-UNK-bcd487e9-4
0.274
MIC-UNK-bcd487e9-9
0.274
SAM-UNK-2684b532-4
0.274
BAR-COM-0f94fc3d-55
0.274
ADA-UCB-dc2b944c-6
0.274
JIN-POS-6dc588a4-7
0.273
VLA-UCB-34f3ed0c-13
0.272
MIC-UNK-cdc2493e-17
0.270
MIC-UNK-cdc2493e-2
0.270
MIC-UNK-cdc2493e-22
0.270
VLA-UCB-34f3ed0c-7
0.270
MIC-UNK-bcd487e9-1
0.269
VLA-UNK-4cf5aa07-2
0.268
JIN-POS-6dc588a4-21
0.267
PET-UNK-a17c93d1-1
0.267
ADA-UCB-dc2b944c-18
0.267
SEA-TRI-8ad086cf-1
0.266
MIC-UNK-bcd487e9-8
0.265
MIC-UNK-bcd487e9-7
0.265
JAN-GHE-f4ca5a00-7
0.265
DAR-DIA-2964957d-9
0.264
JAN-GHE-f4ca5a00-1
0.264
JAN-GHE-f4ca5a00-3
0.264
JAN-GHE-d851b096-3
0.264
ALP-POS-8ed8d9ec-3
0.263
MIC-UNK-bcd487e9-6
0.263
MIC-UNK-cdc2493e-3
0.261
MIC-UNK-bcd487e9-3
0.261
MIC-UNK-cdc2493e-11
0.261
MAR-TRE-0fda4e82-58
0.261
MIC-UNK-cdc2493e-9
0.261
MIC-UNK-cdc2493e-21
0.261
ALP-POS-ddb41b15-2
0.261
RYA-UNI-14580791-1
0.260
EDG-MED-0da5ad92-3
0.260
MIC-UNK-cdc2493e-1
0.259
MIC-UNK-d36ab305-4
0.259
MIC-UNK-cdc2493e-15
0.259
KEI-TRE-d5e2018a-16
0.257
JOR-UNI-2fc98d0b-5
0.257
JOR-UNI-2fc98d0b-1
0.257
JOR-UNI-2fc98d0b-4
0.257
MAR-TRE-e86a56b5-29
0.257
MIC-UNK-cdc2493e-12
0.257
MIC-UNK-bcd487e9-2
0.257
ALP-POS-fc6c627f-3
0.256
ALP-POS-ddb41b15-3
0.256
VLA-UCB-34f3ed0c-5
0.256
DAR-DIA-5d6f1b43-28
0.256
MAT-POS-06036648-4
0.256
JAN-GHE-5a013bed-4
0.255
BAR-COM-0f94fc3d-12
0.255
MAT-POS-3b92565d-11
0.255
VLA-UCB-05e51b3f-14
0.254
MIC-UNK-cdc2493e-20
0.254
EDJ-MED-c314995a-1
0.254