Molecular Properties | |
SMILES: | O=C(CCl)CN(C(=O)Nc1cccc(Cl)c1)c1cncnc1 |
MW: | 339.182 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 75.19 |
cLogP: | 2.9764 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketones
Filter64_halo_ketone_sulfone
aliphatic ketone not ring and not di-carbonyl
Ketone
AAR-POS-d2a4d1df-11
SEA-TRI-2dd971ce-1
0.701
SEA-TRI-5a552082-1
0.614
NIM-UNI-6eebfcd4-1
0.436
DAR-DIA-23aa0b97-13
0.373
JOR-UNI-2fc98d0b-7
0.370
DAR-DIA-23aa0b97-14
0.370
JAN-GHE-83b26c96-19
0.370
WAR-XCH-eb7b662f-7
0.370
AAR-UNI-c25c2f1e-46
0.368
MIC-UNK-66895286-2
0.368
JAN-GHE-5a013bed-9
0.365
BEN-DND-61647d40-15
0.361
MIC-UNK-66895286-3
0.359
SEA-TRI-04ff6e57-1
0.357
EDJ-MED-49816e9b-1
0.354
JOR-UNI-2fc98d0b-2
0.349
JOR-UNI-2fc98d0b-4
0.348
BEN-DND-61647d40-20
0.346
TRY-UNI-714a760b-9
0.346
TRY-UNI-714a760b-12
0.342
JAG-UCB-cedd89ab-8
0.342
JAG-UCB-cedd89ab-6
0.341
JOR-UNI-2fc98d0b-16
0.341
JAN-GHE-d851b096-3
0.340
JAG-UCB-252a2f58-1
0.338
BEN-DND-61647d40-11
0.333
BEN-DND-61647d40-19
0.333
JOR-UNI-2fc98d0b-8
0.333
JOR-UNI-2fc98d0b-1
0.333
ERI-UCB-ce40166b-23
0.330
MIC-UNK-66895286-4
0.329
JOR-UNI-2fc98d0b-10
0.326
SEA-TRI-f62e8c25-1
0.326
JAN-LUN-8953ce76-6
0.326
BEN-DND-61647d40-16
0.326
PET-UNK-8922bd3c-1
0.326
JAN-LUN-3e0f9c09-1
0.326
MAR-TRE-f5c2d31c-36
0.320
JOR-UNI-2fc98d0b-3
0.319
JOR-UNI-2fc98d0b-5
0.319
JAN-GHE-d851b096-2
0.318
JAN-GHE-d851b096-9
0.316
SEA-TRI-8ad086cf-1
0.316
JAG-UCB-cedd89ab-7
0.314
MAR-TRE-799db12b-27
0.314
MIC-UNK-66895286-5
0.314
JAG-UCB-ef2c0e8e-10
0.312
JOR-UNI-2fc98d0b-6
0.312
JOR-UNI-2fc98d0b-14
0.312
DAR-DIA-23aa0b97-12
0.310
SIM-SYN-a98e6a07-3
0.309
JOR-UNI-2fc98d0b-12
0.309
JAN-GHE-d851b096-4
0.306
TRY-UNI-9f475305-11
0.306
ALP-POS-f13221e1-4
0.306
JOR-UNI-2fc98d0b-11
0.305
JOR-UNI-2fc98d0b-17
0.305
EDG-MED-0da5ad92-2
0.304
MAR-TRE-66ac689e-65
0.303
BEN-DND-61647d40-13
0.302
JIN-POS-6dc588a4-1
0.302
BEN-DND-02317c5c-11
0.302
MAR-TRE-4f781e27-43
0.301
JOR-UNI-2fc98d0b-13
0.299
BEN-DND-02317c5c-12
0.299
BAR-COM-4e090d3a-11
0.299
MAT-POS-bfb445d4-1
0.299
MAT-POS-3b92565d-14
0.299
BEN-DND-61647d40-12
0.299
MAT-POS-bb423b95-1
0.299
MAR-TRE-66ac689e-92
0.299
EDG-MED-0da5ad92-20
0.298
SAD-SAT-24589cd1-2
0.298
AAR-UNI-c25c2f1e-78
0.298
MAR-TRE-9d18ae8c-77
0.297
MAR-TRE-8190bb11-59
0.296
MAR-TRE-f5c2d31c-11
0.296
SIM-SYN-a98e6a07-2
0.295
JAG-UCB-77729364-1
0.295
MAR-TRE-85681e92-77
0.294
KEI-TRE-d5e2018a-16
0.293
MIC-UNK-8373f97b-1
0.293
JOR-UNI-2fc98d0b-15
0.293
ALP-POS-f13221e1-3
0.292
BEN-DND-61647d40-14
0.292
MAR-TRE-799db12b-24
0.292
DAR-DIA-03336633-3
0.291
JOR-UNI-2fc98d0b-9
0.291
MAR-TRE-4f781e27-49
0.291
JAN-GHE-f4ca5a00-11
0.290
MAT-POS-90fd5f68-25
0.290
PET-UNK-d899bab6-1
0.290
MIC-UNK-66895286-1
0.287
ALP-POS-95b75b4d-7
0.287
EMI-TUK-a58865cc-7
0.287
MAR-TRE-92684b97-89
0.287
ADA-UNI-f8e79267-8
0.287
JOH-UNI-c7afdb96-5
0.286
EDG-MED-0da5ad92-19
0.286
EDG-MED-0da5ad92-3
0.286