Molecular Properties | |
SMILES: | CN(C(=O)c1cccc2[nH]ccc12)c1cncc(Cl)c1 |
MW: | 285.07 |
Fraction sp3: | 0.07 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 48.99 |
cLogP: | 3.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-c59291d4-5
NAU-LAT-356bd3c2-2
0.507
ALP-POS-c59291d4-5
0.493
NAU-LAT-356bd3c2-1
0.493
JOH-UNI-7a6e29a5-5
0.487
JOH-UNI-0304dea8-2
0.487
JOH-UNI-0304dea8-1
0.481
GIA-UNK-b9c616ea-5
0.462
RYA-MOD-343ecd80-3
0.417
JOH-UNI-6fc75a7c-2
0.405
JON-UIO-56032f80-3
0.395
GIA-UNK-b9c616ea-6
0.395
GIA-UNK-b9c616ea-1
0.393
RYA-MOD-343ecd80-2
0.390
JOH-UNI-f0df842c-1
0.388
GIA-UNK-b9c616ea-4
0.388
LUK-UNK-17c446f9-1
0.384
NAU-LAT-356bd3c2-7
0.381
JON-UIO-56032f80-6
0.372
JOH-UNI-7a6e29a5-1
0.370
JOH-UNI-6fc75a7c-5
0.370
JOH-UNI-0304dea8-4
0.370
GIA-UNK-b9c616ea-7
0.367
GIA-UNK-b9c616ea-2
0.362
RYA-MOD-343ecd80-1
0.362
GIA-UNK-b9c616ea-3
0.362
JOH-UNI-0304dea8-3
0.361
JOH-UNI-6fc75a7c-3
0.358
JOH-UNI-6fc75a7c-4
0.358
JOH-UNI-7a6e29a5-3
0.358
JOH-UNI-7a6e29a5-2
0.349
JOH-UNI-7a6e29a5-4
0.349
JOH-UNI-6fc75a7c-1
0.346
RYA-UNI-da6d17ea-1
0.337
GAB-REV-70cc3ca5-6
0.337
NAU-LAT-356bd3c2-8
0.330
NAU-LAT-356bd3c2-10
0.321
JOH-UNI-f0df842c-4
0.321
MIC-UNK-221d8b72-1
0.315
NAU-LAT-356bd3c2-11
0.299
JOH-UNI-f0df842c-2
0.299
RYA-MOD-343ecd80-4
0.297
GIA-UNK-3883fa4f-3
0.292
MIC-UNK-d36ab305-6
0.289
ALP-POS-ddb41b15-3
0.288
AMY-UNI-96aa4547-1
0.288
NAU-LAT-356bd3c2-9
0.287
RYA-UNI-6f4cba40-1
0.282
JON-UIO-e1edb2d8-7
0.279
AMY-UNI-cb2a69e8-1
0.278
JIN-POS-6dc588a4-12
0.278
MIC-UNK-d36ab305-3
0.277
AMY-UNI-fde3583d-1
0.274
JON-UIO-314afe9d-1
0.273
JON-UIO-314afe9d-9
0.272
JON-UIO-25071d63-1
0.270
MAR-UCB-fd2e172f-31
0.267
JON-UIO-314afe9d-3
0.267
MED-UNK-28939ac5-12
0.265
FRA-DIA-13af2da5-1
0.265
MIC-UNK-d36ab305-5
0.265
GIA-UNK-3883fa4f-2
0.265
JON-UIO-314afe9d-6
0.264
NIM-UNI-310206f0-65
0.263
JON-UIO-e1edb2d8-1
0.262
NIM-UNI-310206f0-39
0.262
AMY-UNI-82e4a3e2-1
0.261
MIC-UNK-cdc2493e-6
0.260
MIC-UNK-d36ab305-2
0.260
MIC-UNK-cdc2493e-11
0.257
ALP-POS-ddb41b15-2
0.257
JON-UIO-e1edb2d8-4
0.256
JON-UIO-e1edb2d8-9
0.256
EDG-MED-0da5ad92-3
0.256
NAU-LAT-356bd3c2-6
0.256
JON-UIO-314afe9d-5
0.256
JOH-UNI-f0df842c-3
0.256
ALP-POS-76eab5ce-2
0.256
NIM-UNI-310206f0-57
0.255
NIM-UNI-310206f0-61
0.254
MAR-TRE-85681e92-33
0.253
NAU-LAT-356bd3c2-4
0.253
JON-UIO-314afe9d-8
0.253
MIC-UNK-cdc2493e-12
0.252
ALP-POS-75715966-2
0.252
MIC-UNK-cdc2493e-7
0.252
NIM-UNI-310206f0-64
0.252
AMY-UNI-8c1f2a42-1
0.252
JOH-UNI-3fc3434e-5
0.250
JON-UIO-25071d63-6
0.250
JON-UIO-56032f80-7
0.250
PET-UNK-d899bab6-1
0.250
MAT-POS-90fd5f68-25
0.250
MIC-UNK-cdc2493e-20
0.250
JON-UIO-25071d63-5
0.250
JON-UIO-314afe9d-10
0.250
NIM-UNI-310206f0-62
0.250
NIM-UNI-310206f0-66
0.250
JOH-UNI-ee5ed7c8-5
0.250
DAR-DIA-5a24bef0-17
0.250
ALP-POS-b3306dea-1
0.248