Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl |
MW: | 405.04 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 88.16 |
cLogP: | 3.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z31791955 |
Mcule: | MCULE-4809283084 |
MolPort: | MolPort-004-199-340 |
Activated haloaromatics
Hetero_hetero
MAR-TRE-2fd8122f-85
0.792
MAR-TRE-2fd8122f-84
0.701
MAR-TRE-2fd8122f-70
0.684
MAR-TRE-f6f5f473-29
0.442
KEI-TRE-d5e2018a-28
0.442
CHR-SOS-7098f804-15
0.420
MAR-TRE-2fd8122f-4
0.419
MAR-TRE-2fd8122f-1
0.411
KEI-TRE-d5e2018a-9
0.409
MAR-TRE-f6f5f473-79
0.407
MAR-TRE-7f7bb9f0-56
0.402
MAR-TRE-2fd8122f-11
0.398
MAK-UNK-a7b37c5e-5
0.397
CHR-SOS-7098f804-11
0.395
ISA-SCH-8e98219b-1
0.395
KEI-TRE-d5e2018a-10
0.391
MAR-TRE-2fd8122f-65
0.385
CHR-SOS-7098f804-14
0.384
KEI-TRE-d5e2018a-61
0.383
KEI-TRE-d5e2018a-13
0.379
MAR-TRE-2fd8122f-25
0.379
MAR-TRE-2fd8122f-95
0.378
CHR-SOS-7098f804-13
0.375
MAR-TRE-2fd8122f-5
0.375
MAR-TRE-2fd8122f-34
0.374
MAR-TRE-04c86cea-35
0.372
MAR-TRE-4b834d9a-42
0.368
MAR-TRE-2fd8122f-10
0.368
KEI-TRE-d5e2018a-53
0.367
KEI-TRE-d5e2018a-70
0.365
MAR-TRE-2fd8122f-71
0.363
MAR-TRE-2fd8122f-82
0.359
CHR-SOS-7098f804-12
0.358
KEI-TRE-d5e2018a-95
0.357
MAR-TRE-d0525fbf-92
0.357
KEI-TRE-d5e2018a-90
0.354
WIL-UNI-5578df48-1
0.353
MAR-TRE-d0525fbf-77
0.353
KEI-TRE-d5e2018a-79
0.351
MAR-TRE-d0525fbf-14
0.351
MAR-TRE-04c86cea-53
0.350
CHR-SOS-7098f804-17
0.350
MAR-TRE-2fd8122f-86
0.349
MAR-TRE-2fd8122f-58
0.348
CHR-SOS-7098f804-16
0.348
MAR-TRE-04c86cea-65
0.347
MAR-TRE-2fd8122f-55
0.347
JAN-GHE-4287bd1a-9
0.345
SAD-SAT-f25ee457-8
0.344
KEI-TRE-d5e2018a-42
0.344
KEI-TRE-d5e2018a-44
0.344
MAR-TRE-2fd8122f-76
0.344
MAR-TRE-67513f76-51
0.344
MAR-TRE-2fd8122f-24
0.344
MAK-UNK-ca11b4f7-3
0.342
NAU-LAT-445f63e5-2
0.341
MAR-TRE-7f7bb9f0-74
0.341
KEI-TRE-d5e2018a-1
0.340
WAR-XCH-eb7b662f-3
0.338
KEI-TRE-d5e2018a-32
0.337
MAR-TRE-3e4e6814-34
0.337
KEI-TRE-d5e2018a-47
0.337
KEI-TRE-d5e2018a-22
0.337
CHR-SOS-7098f804-19
0.337
MAR-TRE-2fd8122f-15
0.333
KEI-TRE-d5e2018a-55
0.333
KEI-TRE-d5e2018a-89
0.333
ANT-DIA-3c79be55-4
0.333
MAR-TRE-2fd8122f-40
0.333
KEI-TRE-d5e2018a-56
0.333
WIL-UNI-1faa9b10-8
0.330
JOR-UNI-2fc98d0b-7
0.329
WAR-XCH-eb7b662f-7
0.329
JAN-GHE-83b26c96-19
0.329
DAR-DIA-23aa0b97-14
0.329
ADA-UNI-f8e79267-8
0.327
MAR-TRE-3e4e6814-92
0.327
MAK-UNK-d1e89583-4
0.325
KEI-TRE-d5e2018a-71
0.323
MAR-TRE-f6f5f473-75
0.323
MAR-TRE-2fd8122f-21
0.323
KEI-TRE-d5e2018a-25
0.323
CHA-MCP-85291e1d-5
0.322
MAK-UNK-d1e89583-5
0.322
DAR-DIA-23aa0b97-16
0.321
MAK-UNK-ca11b4f7-1
0.320
MAR-TRE-2fd8122f-83
0.320
MAR-TRE-3e4e6814-66
0.320
MAR-TRE-04c86cea-17
0.320
KEI-TRE-d5e2018a-52
0.320
MAK-UNK-009ebe36-2
0.320
KEI-TRE-d5e2018a-54
0.320
KEI-TRE-d5e2018a-86
0.320
MAR-TRE-2fd8122f-22
0.320
AGN-NEW-891393a6-2
0.318
MAR-TRE-2fd8122f-78
0.318
EDG-MED-0da5ad92-2
0.318
KEI-TRE-d5e2018a-59
0.317
DAR-DIA-23aa0b97-15
0.317
MAR-TRE-2fd8122f-27
0.317