Molecular Properties | |
SMILES: | C=CC(=O)NC1CN(c2cc(C)cc(Cl)c2)C(=O)N(c2cnccc2C)C1 |
MW: | 384.867 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.54 |
cLogP: | 3.46924 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
AGN-NEW-63f62ae9-2
0.772
ADA-UCB-6c2cb422-7
0.375
JAG-UCB-cedd89ab-1
0.363
PET-UNK-5eca9d1d-3
0.323
EDJ-MED-e66f2cc5-1
0.316
MAK-UNK-6ca90168-27
0.309
VLA-UCB-1dbca3b4-4
0.293
PET-UNK-7a31b064-3
0.291
MIC-UNK-e8a42ca9-2
0.291
EDJ-MED-49816e9b-4
0.290
KIM-UNI-60f168f5-4
0.287
PET-UNK-eda34f30-1
0.287
PET-UNK-5eca9d1d-1
0.284
KIM-UNI-60f168f5-5
0.284
KIM-UNI-60f168f5-6
0.284
PET-UNK-7a31b064-4
0.283
PET-UNK-5eca9d1d-2
0.280
KIM-UNI-60f168f5-2
0.279
VLA-UCB-00f2c2b3-3
0.279
ADA-UCB-6c2cb422-5
0.279
KIM-UNI-60f168f5-3
0.274
VLA-UCB-00f2c2b3-4
0.273
MIC-UNK-e8a42ca9-1
0.272
IND-SYN-2c708b29-1
0.272
VLA-UCB-00f2c2b3-5
0.270
DAR-DIA-5ff57136-3
0.268
DAR-DIA-5ff57136-4
0.268
PET-UNK-94460c07-3
0.267
JAN-GHE-d851b096-1
0.267
LON-WEI-af038623-7
0.266
DAR-DIA-5ff57136-8
0.264
EDJ-MED-e66f2cc5-2
0.263
KIM-UNI-60f168f5-9
0.262
KIM-UNI-60f168f5-10
0.262
DAR-DIA-2b784ede-33
0.257
KIM-UNI-60f168f5-8
0.255
MAT-POS-044491d2-1
0.255
NIR-THE-b7e8e081-1
0.253
ALP-POS-95b75b4d-11
0.252
DAR-DIA-2b784ede-31
0.252
PET-UNK-94460c07-4
0.252
BEN-VAN-5787f7d3-6
0.252
DAR-DIA-5ff57136-6
0.252
STE-UNK-4e3fa4d2-1
0.250
DAR-DIA-2b784ede-32
0.250
MAK-UNK-f203cb68-16
0.250
DAR-DIA-076fb6ea-2
0.250
NAU-LAT-3f5f3993-2
0.247
MAT-POS-590ac91e-19
0.247
NAU-LAT-3f5f3993-9
0.245
EDG-MED-0da5ad92-3
0.245
DOU-UNK-b5326f8f-4
0.243
MAT-POS-044491d2-3
0.243
NAU-LAT-30527ac5-2
0.243
JAN-GHE-bf40f168-11
0.243
WIL-MOD-03b86a88-2
0.243
KIM-UNI-60f168f5-7
0.243
WAR-XCH-eb7b662f-5
0.242
DAR-DIA-d6e5861b-10
0.242
DOU-UNK-b5326f8f-8
0.241
MAR-UCB-ad2ff052-2
0.241
TRY-UNI-2eddb1ff-8
0.241
MAK-UNK-9e4a73aa-31
0.241
PET-UNK-bbe8d7ff-1
0.240
BAR-COM-0f94fc3d-25
0.240
MAT-POS-136e7878-2
0.239
DAR-DIA-2b784ede-21
0.239
DAR-DIA-d6e5861b-6
0.238
DAR-DIA-d6e5861b-8
0.238
BAR-COM-0f94fc3d-41
0.238
JAN-GHE-bf40f168-6
0.238
EDG-MED-0da5ad92-8
0.237
TRY-UNI-2eddb1ff-2
0.237
SEL-UNI-cd366922-4
0.237
DAR-DIA-2b784ede-25
0.237
MAR-UCB-ad2ff052-1
0.237
MIC-UNK-df342a3f-2
0.237
DAR-DIA-2b784ede-3
0.236
ENA-ENA-cf881d10-1
0.236
MAK-UNK-6ca90168-28
0.236
WIL-MOD-03b86a88-3
0.236
NAU-LAT-3f5f3993-7
0.235
NAU-LAT-3f5f3993-6
0.235
BEN-DND-6de5dfa0-14
0.235
NAU-LAT-3f5f3993-8
0.235
EDJ-MED-3c65e9ce-4
0.235
EDJ-MED-49816e9b-1
0.235
SAD-SAT-7d5528d9-7
0.234
DAR-DIA-2b784ede-4
0.234
BEN-VAN-5787f7d3-7
0.233
EDJ-MED-49816e9b-6
0.233
DAR-DIA-0cde14eb-66
0.233
DAR-DIA-2b784ede-22
0.233
DAR-DIA-23e5a6a0-27
0.233
EDG-MED-0da5ad92-19
0.232
MAT-POS-590ac91e-14
0.232
DAR-DIA-53551c05-3
0.232
AAR-POS-d2a4d1df-3
0.232
MAK-UNK-6435e6c2-8
0.232
TRY-UNI-714a760b-11
0.232