Molecular Properties | |
SMILES: | O=c1c(Nc2cccc(Cl)c2)c(Nc2n[nH]c3ccccc23)c1=O |
MW: | 338.06 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 86.88 |
cLogP: | 3.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
1,2-Diimines, 1,2-diketones and their thio- and phospho-analogues
DAR-DIA-2964957d-1
0.468
EDJ-MED-c8e7a002-11
0.425
NAU-LAT-a5c7d7cb-10
0.425
DAR-DIA-2964957d-7
0.422
DAR-DIA-2964957d-2
0.418
DAR-DIA-2964957d-5
0.365
DAR-DIA-2964957d-8
0.326
JAG-UCB-52b62a6f-17
0.316
DAR-DIA-23aa0b97-13
0.296
JAG-UCB-cedd89ab-7
0.292
JAG-UCB-cedd89ab-6
0.289
BEN-DND-61647d40-14
0.286
ALP-POS-a3de0cb1-5
0.283
NAU-LAT-56d5284e-3
0.280
JOR-UNI-2fc98d0b-7
0.275
JAN-GHE-83b26c96-19
0.275
DAR-DIA-23aa0b97-14
0.275
WAR-XCH-eb7b662f-7
0.275
DAR-DIA-23aa0b97-12
0.275
NAU-LAT-56d5284e-8
0.273
ALP-POS-a3de0cb1-11
0.273
EDJ-MED-c8e7a002-9
0.272
EDJ-MED-c8e7a002-16
0.272
JAG-UCB-252a2f58-1
0.267
MIC-UNK-66895286-5
0.264
PET-UNK-8922bd3c-1
0.261
ALP-POS-8ed8d9ec-1
0.259
JAG-UCB-ef2c0e8e-10
0.259
JAG-UCB-cedd89ab-8
0.256
MIC-UNK-66895286-3
0.256
TRY-UNI-714a760b-12
0.256
UNK-UNK-2ede4078-63
0.253
BEN-DND-61647d40-11
0.253
ALP-POS-a3de0cb1-3
0.252
MAT-POS-bfb445d4-1
0.250
BEN-DND-02317c5c-12
0.250
MAT-POS-3b92565d-14
0.250
BEN-DND-61647d40-12
0.250
JAN-LUN-8953ce76-6
0.247
ROB-UNI-daaf9793-1
0.247
MAT-POS-e1b5ac6b-1
0.247
JAN-LUN-3e0f9c09-1
0.247
MIC-UNK-66895286-2
0.247
AAR-UNI-c25c2f1e-46
0.247
UNK-UNK-2ede4078-28
0.245
BEN-DND-61647d40-20
0.244
NAU-LAT-4ce8bf23-1
0.243
DAR-DIA-2964957d-9
0.242
JIN-POS-6dc588a4-5
0.242
NAU-LAT-4ce8bf23-3
0.240
MIC-UNK-8373f97b-3
0.240
NAU-LAT-a5c7d7cb-7
0.240
VLA-UCB-1dbca3b4-9
0.240
BEN-DND-61647d40-13
0.239
JIN-POS-6dc588a4-8
0.239
SEA-TRI-6388eba6-1
0.239
BEN-DND-02317c5c-11
0.239
JIN-POS-6dc588a4-1
0.239
MIC-UNK-10ba69b4-2
0.238
UNK-UNK-2ede4078-33
0.237
VLA-UCB-1dbca3b4-11
0.237
BEN-DND-61647d40-15
0.237
VLA-UNK-dc1d9354-1
0.237
MIC-UNK-10ba69b4-3
0.235
DAR-DIA-2964957d-6
0.235
MIC-UNK-8373f97b-1
0.235
MAK-UNK-942dcb71-5
0.235
MAK-UNK-752736de-3
0.235
JOH-UNI-6fede743-4
0.234
ALP-POS-75715966-3
0.234
TRY-UNI-714a760b-9
0.233
NAU-LAT-56d5284e-6
0.233
MIC-UNK-10ba69b4-1
0.233
ERI-UCB-a0b0dbcb-2
0.232
DAR-DIA-bd041b9b-5
0.232
MAK-UNK-942dcb71-6
0.232
RUB-POS-1325a9ea-18
0.232
NAU-LAT-356bd3c2-2
0.231
AAR-POS-fca48359-9
0.231
FAR-UNI-736b943a-7
0.231
EDJ-MED-c8e7a002-15
0.229
NAU-LAT-56d5284e-7
0.228
SWA-SYN-59528602-1
0.227
IND-SYN-8bc6954a-3
0.227
MAR-UCB-d1255a91-2
0.227
IND-SYN-35527f5a-1
0.227
ALP-POS-02c6a514-48
0.227
JAN-GHE-82a280f8-2
0.226
JAN-GHE-82a280f8-3
0.226
JAN-GHE-5a013bed-9
0.226
VLA-UCB-00f2c2b3-7
0.226
JIN-POS-6dc588a4-19
0.226
JOH-UNI-6fede743-3
0.226
MAT-POS-bb423b95-6
0.226
PET-UNK-e8933450-1
0.225
NAU-LAT-a5c7d7cb-9
0.225
EDJ-MED-49816e9b-1
0.225
MAT-POS-67c9d7d9-1
0.225
VLA-UCB-1dbca3b4-8
0.224
VLA-UCB-05e51b3f-15
0.224