Molecular Properties | |
SMILES: | O=c1c(Nc2cccc(Cl)c2)c(-n2nnc3ccccc32)c1=O |
MW: | 324.04 |
Fraction sp3: | 0.0 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 76.88 |
cLogP: | 2.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
1,2-Diimines, 1,2-diketones and their thio- and phospho-analogues
DAR-DIA-2964957d-6
0.592
DAR-DIA-2964957d-7
0.532
MAT-POS-3b92565d-14
0.386
BEN-DND-02317c5c-12
0.386
BEN-DND-61647d40-12
0.386
MAT-POS-bfb445d4-1
0.386
DAR-DIA-2964957d-3
0.365
DAR-DIA-2964957d-2
0.349
DAR-DIA-2964957d-1
0.349
MAT-POS-bfb445d4-2
0.341
DAR-DIA-2964957d-4
0.333
DAR-DIA-2964957d-8
0.326
MAT-POS-3b92565d-13
0.311
JIN-POS-6dc588a4-1
0.310
BEN-DND-02317c5c-11
0.310
BEN-DND-61647d40-13
0.310
BEN-DND-61647d40-14
0.300
VLA-UCB-34f3ed0c-2
0.297
MAT-POS-06036648-5
0.296
MAT-POS-06036648-9
0.295
DAR-DIA-093892e4-11
0.294
EDJ-MED-06d94977-2
0.293
DAR-DIA-53551c05-14
0.293
CHO-MSK-00c5269a-5
0.290
BAR-COM-0f94fc3d-24
0.283
CHO-MSK-00c5269a-4
0.278
ALP-POS-8ed8d9ec-15
0.277
MAT-POS-06036648-3
0.276
MAT-POS-06036648-1
0.276
DAR-DIA-667e571f-1
0.274
JAN-GHE-5a013bed-2
0.270
JAG-UCB-252a2f58-1
0.267
BEN-DND-61647d40-11
0.267
ALP-POS-a3de0cb1-13
0.265
CHO-MSK-00c5269a-1
0.265
CHO-MSK-00c5269a-3
0.265
ALP-POS-bad7201a-15
0.265
ALP-POS-6d04362c-2
0.265
CHO-MSK-00c5269a-2
0.257
ALP-POS-75715966-5
0.257
DAR-DIA-53551c05-9
0.255
DAR-DIA-093892e4-12
0.252
MAT-POS-06036648-6
0.252
ALP-POS-75715966-1
0.250
NAU-LAT-56d5284e-8
0.248
MIC-UNK-8373f97b-1
0.247
NAU-LAT-e1818702-3
0.247
DAR-DIA-53551c05-8
0.247
MAT-POS-06036648-8
0.245
BEN-DND-61647d40-2
0.245
VLA-UCB-05e51b3f-8
0.243
VLA-UCB-50c39ae8-5
0.243
NAU-LAT-56d5284e-3
0.243
MAR-LAB-ca4662a6-7
0.241
PET-UNK-b75fdf9f-1
0.238
JAN-GHE-f4ca5a00-9
0.238
MAT-POS-06036648-4
0.237
VLA-UCB-1dbca3b4-2
0.237
VLA-UNK-dc1d9354-1
0.237
ANT-DIA-62e4526e-1
0.236
ANT-OPE-45835252-2
0.236
DAR-DIA-667e571f-7
0.235
DAR-DIA-23aa0b97-13
0.235
DAR-DIA-093892e4-7
0.235
ALP-POS-a3de0cb1-12
0.235
MAK-UNK-942dcb71-5
0.235
MAK-UNK-752736de-3
0.235
MAT-POS-06036648-2
0.234
MAK-UNK-942dcb71-6
0.232
WAR-XCH-b72a1bbc-46
0.232
ALP-POS-8ed8d9ec-3
0.231
OLG-UNK-911c2067-1
0.231
BAR-COM-0f94fc3d-12
0.231
JAG-UCB-ef2c0e8e-10
0.230
BEN-DND-61647d40-20
0.230
MAR-LAB-ff9967db-30
0.229
MAR-TRE-423310b6-6
0.229
DAR-DIA-23aa0b97-14
0.229
JOR-UNI-2fc98d0b-7
0.229
JAN-GHE-83b26c96-19
0.229
WAR-XCH-eb7b662f-7
0.229
ANT-OPE-45835252-1
0.228
MAR-TRE-3e4e6814-40
0.227
VLA-UCB-1dbca3b4-5
0.227
BEN-DND-02317c5c-8
0.226
NAU-LAT-a5c7d7cb-12
0.226
PET-UNK-e44ffd04-1
0.226
DAR-DIA-667e571f-3
0.225
MIC-UNK-66895286-5
0.223
MAR-LAB-ca4662a6-8
0.223
EDJ-MED-50fe53e8-3
0.223
MAT-POS-3b92565d-10
0.222
MAR-TRE-d0525fbf-58
0.222
EDJ-MED-06d94977-1
0.222
ALP-POS-bad7201a-2
0.221
MIC-UNK-10ba69b4-1
0.221
MAT-POS-06036648-7
0.221
JAN-LUN-3e0f9c09-1
0.221
JAN-LUN-8953ce76-6
0.221
JAG-UCB-cedd89ab-6
0.221