Molecular Properties | |
SMILES: | O=c1c(NCc2cccc(Cl)c2)c(-n2nnc3ccccc32)c1=O |
MW: | 338.06 |
Fraction sp3: | 0.06 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 76.88 |
cLogP: | 2.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
1,2-Diimines, 1,2-diketones and their thio- and phospho-analogues
DAR-DIA-2964957d-5
0.592
MAT-POS-3b92565d-13
0.430
MAT-POS-bfb445d4-2
0.400
DAR-DIA-2964957d-7
0.352
EDJ-MED-06d94977-2
0.348
DAR-DIA-093892e4-11
0.330
ALP-POS-8ed8d9ec-15
0.327
CHO-MSK-00c5269a-5
0.324
ALP-POS-a3de0cb1-13
0.321
BEN-DND-61647d40-12
0.319
MAT-POS-3b92565d-14
0.319
BEN-DND-02317c5c-12
0.319
MAT-POS-bfb445d4-1
0.319
DAR-DIA-53551c05-14
0.317
DAR-DIA-2964957d-4
0.315
CHO-MSK-00c5269a-3
0.314
ALP-POS-bad7201a-15
0.314
CHO-MSK-00c5269a-1
0.314
ALP-POS-6d04362c-2
0.314
CHO-MSK-00c5269a-4
0.312
DAR-DIA-093892e4-12
0.311
JAN-GHE-5a013bed-2
0.311
JAG-UCB-ef2c0e8e-5
0.306
CHO-MSK-00c5269a-2
0.305
ALP-POS-75715966-5
0.305
ALP-POS-75715966-1
0.296
MAR-TRE-4b834d9a-12
0.292
VLA-UNK-411a133b-1
0.287
MAT-POS-06036648-5
0.282
VLA-UNK-dc1d9354-1
0.277
JIN-POS-6dc588a4-7
0.277
PET-UNK-158bee2a-1
0.275
VLA-UNK-4cf5aa07-1
0.275
MAT-POS-06036648-1
0.275
MAR-TRE-4b834d9a-10
0.273
VLA-UCB-34f3ed0c-2
0.271
TRY-UNI-1fd04853-5
0.271
JAN-GHE-5a013bed-3
0.271
MAR-TRE-d0525fbf-6
0.270
PET-UNK-8df914d1-5
0.269
MAT-POS-0c8fa4a7-3
0.269
MAT-POS-c79fcd02-1
0.269
DAR-DIA-53551c05-9
0.268
BAR-COM-0f94fc3d-24
0.268
MAR-TRE-b77b7921-8
0.268
ALP-POS-a3de0cb1-12
0.267
NIC-BIO-3276ca7f-6
0.267
MAR-TRE-4b834d9a-22
0.266
ALP-POS-8ed8d9ec-3
0.266
BEN-DND-02317c5c-8
0.266
NAU-LAT-a5c7d7cb-12
0.266
PET-UNK-e44ffd04-1
0.266
MAR-TRE-b77b7921-33
0.265
MAT-POS-06036648-3
0.264
EDJ-MED-50fe53e8-3
0.263
DAR-DIA-6a49afbe-1
0.263
VLA-UNK-0ffe3317-4
0.263
ALP-POS-76eab5ce-2
0.263
VLA-UCB-1dbca3b4-2
0.263
MAR-TRE-b77b7921-62
0.262
JAN-GHE-5a013bed-1
0.261
VLA-UNK-411a133b-2
0.261
MAR-TRE-f6f5f473-96
0.261
AAR-UNI-c25c2f1e-78
0.261
DAR-DIA-53551c05-8
0.261
EDJ-MED-50fe53e8-2
0.260
MAT-POS-f7918075-6
0.260
NAU-LAT-a5c7d7cb-11
0.260
DAR-DIA-093892e4-7
0.260
VLA-UNK-4cf5aa07-2
0.258
JIN-POS-6dc588a4-21
0.258
EDJ-MED-c8e7a002-8
0.258
AAR-POS-8a4e0f60-4
0.257
MAR-TRE-4b834d9a-80
0.257
PET-UNK-158bee2a-2
0.256
EDJ-MED-49816e9b-5
0.256
MAR-TRE-423310b6-6
0.255
MAT-POS-06036648-9
0.255
TRY-UNI-9f475305-7
0.255
ALP-POS-8b8a49e1-7
0.253
SAD-SAT-7d5528d9-21
0.253
MAT-POS-0bc33984-2
0.253
JAG-UCB-252a2f58-1
0.253
JAN-GHE-f4ca5a00-17
0.253
RUB-POS-1325a9ea-24
0.253
ALP-POS-3b848b35-3
0.253
NIC-BIO-a68395b7-4
0.253
BEN-DND-61647d40-13
0.253
JIN-POS-6dc588a4-1
0.253
BEN-DND-02317c5c-11
0.253
KRI-MAR-d2e3ef86-9
0.253
EDG-MED-0da5ad92-18
0.250
JIN-POS-6dc588a4-9
0.250
ALP-POS-90e38439-2
0.250
MAK-UNK-ec98eaf6-44
0.250
JAN-GHE-5a013bed-5
0.250
JAN-GHE-5a013bed-11
0.250
PET-UNK-158bee2a-4
0.250
MAT-POS-500ca5bf-2
0.250
PET-UNK-8df914d1-2
0.250