Molecular Properties | |
SMILES: | O=S(=O)(Cc1ccc(F)cc1)Nc1cccnc1 |
MW: | 266.05 |
Fraction sp3: | 0.08 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 59.06 |
cLogP: | 2.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z274592070 |
Enamine Extended REAL: | s_232682____3192162____3005350 |
Mcule: | MCULE-5981200133 |
Mcule Ultimate: | PWCYOXNAVUWDJK-UHFFFAOYSA-N |
MolPort: | MolPort-006-802-159 |
Order Status | |
Ordered: | 2020-05-30 |
Synthesis Location: | enamine |
Shipped: | 2020-06-30 |
Hetero_hetero
AAR-POS-d2a4d1df-11
AGN-NEW-891393a6-3
0.516
AGN-NEW-891393a6-4
0.485
MAK-UNK-a7b37c5e-5
0.459
NAU-LAT-445f63e5-1
0.452
NAU-LAT-445f63e5-3
0.429
ISA-SCH-8e98219b-1
0.410
MAR-TRE-f6f5f473-79
0.367
MAR-TRE-7f7bb9f0-56
0.357
KEI-TRE-d5e2018a-55
0.351
KEI-TRE-d5e2018a-42
0.347
MAR-TRE-2fd8122f-52
0.341
WIL-UNI-5578df48-1
0.338
CHA-MCP-85291e1d-5
0.338
ANT-DIA-3c79be55-4
0.333
MAR-TRE-67513f76-81
0.328
MAR-TRE-04c86cea-97
0.324
MAK-UNK-ca11b4f7-3
0.322
MAR-TRE-2fd8122f-84
0.321
SAD-SAT-24589cd1-4
0.318
JOH-IMS-62aeb97d-5
0.317
MAK-UNK-ca11b4f7-1
0.317
MAR-TRE-2fd8122f-78
0.315
KEI-TRE-d5e2018a-95
0.314
MAR-TRE-d0525fbf-92
0.314
MAK-UNK-a7b37c5e-4
0.313
MAR-TRE-04c86cea-35
0.313
MAR-TRE-4b834d9a-42
0.310
MAR-TRE-2fd8122f-10
0.310
MAK-UNK-2c1752f0-4
0.309
CHA-MCP-85291e1d-2
0.307
JIA-UNI-12b1f9ae-1
0.307
KEI-TRE-d5e2018a-36
0.305
SAN-PRS-52b81272-2
0.303
ANT-DIA-b7f58f21-1
0.302
MAR-TRE-3e4e6814-66
0.301
MAK-UNK-ca11b4f7-2
0.300
PET-SGC-d0156db4-2
0.300
WIL-UNI-5578df48-7
0.297
EDG-MED-0da5ad92-2
0.296
KEI-TRE-d5e2018a-44
0.295
MAR-TRE-2fd8122f-27
0.294
ANN-UNI-26382800-5
0.293
MAR-TRE-2fd8122f-65
0.293
SAD-SAT-2fd372d1-7
0.292
FOC-CAS-e3a94da8-1
0.291
MAR-TRE-2fd8122f-69
0.289
NAU-LAT-445f63e5-5
0.289
HUB-UNK-9845d277-14
0.289
MAR-TRE-2fd8122f-51
0.289
MAR-TRE-c8530538-32
0.289
ALE-HEI-f28a35b5-15
0.288
ALE-HEI-f28a35b5-14
0.288
NAU-LAT-445f63e5-4
0.288
KEI-TRE-d5e2018a-69
0.287
KEI-TRE-d5e2018a-25
0.287
MAR-TRE-d0525fbf-97
0.287
MAR-TRE-7f7bb9f0-58
0.287
DAR-DIA-842b4336-10
0.286
KEI-TRE-d5e2018a-1
0.284
WIL-UNI-5578df48-33
0.284
MAR-TRE-7f7bb9f0-33
0.284
MAR-TRE-67513f76-93
0.284
MAR-TRE-2fd8122f-58
0.282
MAR-TRE-2fd8122f-60
0.282
PET-SGC-b0f8bd49-1
0.282
DRE-WAB-ae4a693c-1
0.282
PET-SGC-d0156db4-1
0.282
ASH-UNK-40b46b30-3
0.282
BEN-DND-362d364a-12
0.282
DAR-DIA-23aa0b97-16
0.282
MAK-UNK-c749d764-17
0.282
JOH-IMS-62aeb97d-1
0.282
TAM-UNI-c140e31a-21
0.281
AAR-POS-d2a4d1df-11
0.281
KEI-TRE-d5e2018a-62
0.281
MAR-TRE-2fd8122f-45
0.280
ADA-UNI-f8e79267-3
0.280
MAK-UNK-2c1752f0-3
0.280
PET-SGC-1fc12be1-1
0.280
BEN-DND-93268d01-5
0.280
CHA-MCP-85291e1d-4
0.278
MAR-TRE-b77b7921-91
0.278
DAR-DIA-842b4336-12
0.278
FRA-FAC-9ed5a63a-3
0.278
DAR-DIA-842b4336-11
0.278
WAR-XCH-6eb0722e-3
0.278
KEI-TRE-d5e2018a-43
0.277
SAD-SAT-135344c3-2
0.277
WIL-UNI-5578df48-15
0.276
MAR-TRE-7f7bb9f0-46
0.276
DAR-DIA-23aa0b97-17
0.276
CHR-SOS-59746812-2
0.276
MAK-UNK-d1e89583-1
0.275
SAD-SAT-689b7d5a-6
0.275
CHA-MCP-85291e1d-1
0.275
MED-UNK-e6e8ef8a-2
0.274
FRA-FAC-9ed5a63a-2
0.274
MAR-TRE-2fd8122f-39
0.274
MAR-TRE-b77b7921-49
0.274
MAR-TRE-f6f5f473-75
0.274