Molecular Properties | |
SMILES: | CNc1ccc(N(C(=O)Nn2cnc3ccccc32)c2cccc(Cl)c2)cc1 |
MW: | 391.12 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 62.19 |
cLogP: | 5.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
MAT-POS-06036648-7
0.663
JAN-GHE-f4ca5a00-9
0.545
MAT-POS-06036648-5
0.484
JAN-GHE-5a013bed-2
0.476
BAR-COM-0f94fc3d-24
0.466
BAR-COM-0f94fc3d-12
0.430
MAT-POS-3b92565d-10
0.419
JAN-GHE-f4ca5a00-1
0.418
JAN-GHE-f4ca5a00-3
0.418
JAN-GHE-f4ca5a00-7
0.402
ALP-POS-bad7201a-7
0.400
MAT-POS-3b92565d-11
0.400
ALP-POS-8ed8d9ec-3
0.398
BAR-COM-0f94fc3d-10
0.398
ALP-POS-a3de0cb1-12
0.391
MAT-POS-06036648-3
0.381
MIC-UNK-d36ab305-2
0.376
BAR-COM-0f94fc3d-32
0.374
ALP-POS-8ed8d9ec-9
0.360
MAT-POS-06036648-1
0.360
BAR-COM-0f94fc3d-8
0.359
BEN-DND-61647d40-13
0.359
BEN-DND-02317c5c-11
0.359
JIN-POS-6dc588a4-1
0.359
JAN-GHE-f4ca5a00-10
0.356
KRI-MAR-d2e3ef86-2
0.356
BAR-COM-0f94fc3d-29
0.356
MAT-POS-c478e61b-1
0.355
MAT-POS-3b92565d-12
0.355
MAT-POS-06036648-6
0.355
BAR-COM-0f94fc3d-42
0.347
MIC-UNK-d36ab305-5
0.343
FRA-DIA-13af2da5-1
0.343
ALP-POS-a3de0cb1-7
0.343
SAM-UNK-2684b532-2
0.333
EDG-MED-0da5ad92-19
0.330
DAR-DIA-667e571f-3
0.328
MIC-UNK-d36ab305-3
0.327
JAN-GHE-5a013bed-3
0.320
ALP-POS-bad7201a-8
0.318
BAR-COM-0f94fc3d-37
0.311
SEA-TRI-f62e8c25-1
0.310
SEA-TRI-04ff6e57-1
0.309
MAT-POS-c478e61b-2
0.303
ALP-POS-8ed8d9ec-14
0.299
TAT-ENA-80bfd3e5-33
0.296
MIC-UNK-d36ab305-6
0.290
SAM-UNK-2684b532-4
0.286
JAN-GHE-f4ca5a00-5
0.282
JAN-GHE-f4ca5a00-8
0.282
JAN-GHE-f4ca5a00-2
0.279
MIC-UNK-bcd487e9-10
0.279
SEA-TRI-8ad086cf-1
0.278
MAT-POS-06036648-4
0.277
MAT-POS-bfb445d4-2
0.276
EDJ-MED-06d94977-2
0.275
EDG-MED-0da5ad92-3
0.274
MAT-POS-bfb445d4-1
0.273
BEN-DND-61647d40-12
0.273
MAT-POS-3b92565d-14
0.273
ALP-POS-c59291d4-4
0.273
BEN-DND-02317c5c-12
0.273
VLA-UCB-34f3ed0c-2
0.268
ALP-POS-75715966-5
0.265
ALP-POS-bad7201a-15
0.261
CHO-MSK-00c5269a-3
0.261
ALP-POS-6d04362c-2
0.261
CHO-MSK-00c5269a-1
0.261
DAR-DIA-667e571f-5
0.260
UNK-UNK-2ede4078-25
0.259
KRI-MAR-d2e3ef86-19
0.259
ALP-POS-75715966-1
0.259
BEN-DND-61647d40-3
0.257
CHO-MSK-00c5269a-2
0.254
DAR-DIA-093892e4-11
0.254
MIC-UNK-cdc2493e-16
0.254
MAT-POS-06036648-2
0.254
MAT-POS-3b92565d-13
0.252
CHO-MSK-00c5269a-4
0.252
DAR-DIA-667e571f-6
0.252
ALP-POS-8ed8d9ec-15
0.250
MIC-UNK-cdc2493e-23
0.250
MIC-UNK-bcd487e9-5
0.250
EDJ-MED-6e43a462-12
0.250
MIC-UNK-cdc2493e-19
0.250
JOR-UNI-2fc98d0b-5
0.245
ALP-POS-bad7201a-4
0.245
JOR-UNI-2fc98d0b-1
0.245
JOR-UNI-2fc98d0b-4
0.245
JOR-UNI-2fc98d0b-11
0.245
DAR-DIA-093892e4-7
0.245
KEI-TRE-d5e2018a-16
0.245
TAT-ENA-80bfd3e5-19
0.245
DAR-DIA-2964957d-5
0.245
NAU-LAT-a5c7d7cb-11
0.245
DAR-DIA-ecdbc7dd-1
0.244
MIC-UNK-cdc2493e-24
0.243
ALP-POS-8ed8d9ec-7
0.243
PET-UNK-7374c256-1
0.243
JAN-GHE-f4ca5a00-11
0.243