Molecular Properties | |
SMILES: | O=C1C(=O)N(c2cccc(CN3CCOCC3)c2)c2cnccc21 |
MW: | 323.13 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 62.74 |
cLogP: | 1.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
diketo group
Filter41_12_dicarbonyl
Ketone
LON-WEI-8f408cad-3
MAK-UNK-987948f6-10
0.714
SAD-SAT-7d5528d9-31
0.593
SAD-SAT-7d5528d9-1
0.418
SAD-SAT-7d5528d9-8
0.411
SAD-SAT-7d5528d9-16
0.409
SAD-SAT-7d5528d9-2
0.398
JOH-IMS-1436231f-6
0.392
AAR-POS-0daf6b7e-29
0.392
SAD-SAT-7d5528d9-3
0.368
JOH-ILL-da934517-3
0.356
MAK-UNK-987948f6-11
0.355
SAD-SAT-7d5528d9-14
0.354
JAR-KUA-672ec752-7
0.351
SAD-SAT-7d5528d9-19
0.345
SAD-SAT-7d5528d9-9
0.337
SAD-SAT-7d5528d9-22
0.333
JOH-ILL-da934517-1
0.330
JOH-ILL-da934517-4
0.312
TAM-UNI-d1c3dd9f-12
0.296
SAD-SAT-24589cd1-6
0.295
SAD-SAT-7d5528d9-49
0.293
PAT-UNK-b2d83456-3
0.292
SAD-SAT-7d5528d9-6
0.284
JOH-ILL-da934517-2
0.283
MAR-TRE-2fd8122f-39
0.283
SAD-SAT-7d5528d9-7
0.282
DAR-DIA-5d6f1b43-13
0.281
SAD-SAT-7d5528d9-15
0.276
JOR-UNI-2fc98d0b-6
0.274
SAD-SAT-7d5528d9-18
0.273
SAD-SAT-135344c3-9
0.272
SAD-SAT-7d5528d9-35
0.267
BEN-DND-93268d01-10
0.267
JOK-SYG-18591e8f-1
0.267
JOR-UNI-2fc98d0b-1
0.267
SAD-SAT-7d5528d9-13
0.262
MAR-TRE-74c6519b-18
0.261
JAN-GHE-1d98ec1c-2
0.261
SAD-SAT-7d5528d9-36
0.260
WIL-UNI-5578df48-30
0.260
DAR-DIA-53551c05-5
0.258
JUL-TUD-06b2044f-147
0.257
MAR-TRE-799db12b-69
0.257
MAR-TRE-2fd8122f-35
0.257
JOR-UNI-61e7b1d5-17
0.256
NIM-UNI-534877e5-3
0.256
NIM-UNI-7f77122c-3
0.256
MAR-TRE-c317dd82-81
0.255
SAD-SAT-7d5528d9-43
0.255
MAR-TRE-2fd8122f-31
0.255
JOH-UNI-0e1753c1-2
0.253
HYO-UNK-49a60884-1
0.253
AAR-POS-d2a4d1df-35
0.253
MED-COV-4280ac29-15
0.253
DRR-IMP-38dce17f-4
0.253
JOH-UNI-0e1753c1-3
0.253
MAR-TRE-9d18ae8c-65
0.252
SAD-SAT-f0a2747f-4
0.252
SEA-TRI-9e600f3c-1
0.252
MAR-TRE-a9136c7b-11
0.252
JOR-UNI-61e7b1d5-16
0.252
SAD-SAT-b55127ae-4
0.250
MAK-UNK-c8c8f7e2-20
0.250
BAR-COM-0f94fc3d-33
0.248
WIL-LEE-23e8b574-3
0.247
MAK-UNK-6ca90168-13
0.247
JOR-UNI-2fc98d0b-9
0.246
JOR-UNI-61e7b1d5-3
0.245
DAR-DIA-b80f1cd7-1
0.245
BAR-COM-4e090d3a-58
0.245
KEI-TRE-d5e2018a-36
0.245
PET-UNK-5eca9d1d-3
0.245
NIM-UNI-534877e5-2
0.244
DAR-DIA-b80f1cd7-13
0.243
JOR-UNI-61e7b1d5-4
0.243
MAR-TRE-3e4e6814-16
0.243
MAR-TRE-66ac689e-54
0.243
JAN-GHE-1d98ec1c-8
0.242
DAR-DIA-43a5904b-16
0.242
MAR-TRE-67513f76-19
0.241
JAG-UCB-cedd89ab-1
0.240
DAR-DIA-6a49afbe-5
0.239
MAR-TRE-fd17a9b8-44
0.239
MAK-UNK-849bee6c-8
0.239
DAR-DIA-b80f1cd7-3
0.237
COM-UCB-8c7d23dc-14
0.237
ALP-POS-305f6ec3-58
0.237
BAR-COM-4e090d3a-54
0.237
DAR-DIA-b80f1cd7-2
0.236
AAR-POS-d2a4d1df-24
0.236
KEI-TRE-d5e2018a-13
0.236
DAR-DIA-b80f1cd7-6
0.235
MAK-UNK-849bee6c-9
0.235
SAD-SAT-7d5528d9-11
0.235
MAR-TRE-fd17a9b8-62
0.235
ALP-POS-02c6a514-55
0.235
MAR-TRE-9c797165-29
0.234
SAD-SAT-7d5528d9-21
0.234
ASH-SAT-43770c7d-3
0.234
DAR-DIA-53551c05-4
0.234