Molecular Properties | |
SMILES: | N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4cc(F)ccc34)CC2)cc1 |
MW: | 440.1 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 114.34 |
cLogP: | 1.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1245884481 |
Enamine Extended REAL: | s_22____469476____5448680 |
MolPort: | MolPort-047-552-969 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-10 |
Hetero_hetero
AAR-POS-d2a4d1df-1
MAT-POS-590ac91e-57
0.750
MAT-POS-590ac91e-65
0.747
MAT-POS-590ac91e-59
0.735
MAT-POS-590ac91e-61
0.659
MAT-POS-590ac91e-63
0.611
MAT-POS-590ac91e-67
0.549
MAT-POS-590ac91e-56
0.538
BEN-DND-7e92b6ca-7
0.517
MAT-POS-590ac91e-69
0.505
MAT-POS-590ac91e-62
0.485
MAT-POS-590ac91e-66
0.469
MAT-POS-590ac91e-58
0.463
MAT-POS-590ac91e-68
0.449
MAT-POS-590ac91e-64
0.440
DRR-IMP-dff87f5e-9
0.434
BEN-DND-7e92b6ca-14
0.419
ERI-UCB-a0b0dbcb-3
0.418
KRI-MAR-d2e3ef86-4
0.414
MAT-POS-916a2c5a-3
0.414
MAT-POS-590ac91e-70
0.406
MAT-POS-590ac91e-49
0.406
BEN-DND-7e92b6ca-15
0.398
ERI-UCB-a0b0dbcb-14
0.396
BEN-DND-7e92b6ca-16
0.371
SAD-SAT-f2e2579e-10
0.371
EDJ-MED-78f964c8-1
0.368
MAT-POS-916a2c5a-4
0.368
ERI-UCB-a0b0dbcb-4
0.359
BEN-DND-7e92b6ca-6
0.351
KAY-MCD-d0fe5261-1
0.349
MAR-TRE-6a44bbf2-58
0.349
DRR-IMP-dff87f5e-1
0.349
ERI-UCB-a0b0dbcb-2
0.347
BEN-DND-7e92b6ca-11
0.343
BEN-DND-7e92b6ca-13
0.343
KRI-MAR-d2e3ef86-13
0.343
MAK-UNK-10dfa458-29
0.337
ALP-POS-3fc1724e-3
0.337
MAR-UCB-f313ec4d-5
0.337
BEN-DND-7e92b6ca-12
0.337
MAT-POS-590ac91e-31
0.333
MAT-POS-590ac91e-34
0.330
MAT-POS-590ac91e-32
0.330
KRI-MAR-d2e3ef86-5
0.330
BEN-DND-7e92b6ca-10
0.330
ALP-UNI-ed5cdfd2-2
0.327
KRI-MAR-d2e3ef86-7
0.327
BEN-DND-03406596-8
0.323
ERI-UCB-a0b0dbcb-13
0.321
ERI-UCB-a0b0dbcb-12
0.321
MAT-POS-590ac91e-37
0.318
KRI-MAR-d2e3ef86-6
0.318
MAT-POS-590ac91e-46
0.314
MAT-POS-590ac91e-38
0.312
EDJ-MED-d1cd9639-1
0.312
MAK-UNK-10dfa458-5
0.311
BEN-DND-03ad4429-3
0.311
MAK-UNK-6435e6c2-5
0.310
MAT-POS-590ac91e-50
0.310
ERI-UCB-ce40166b-21
0.310
ERI-UCB-a0b0dbcb-11
0.309
NAU-LAT-56d5284e-2
0.302
ALP-POS-3fc1724e-4
0.302
MAT-POS-590ac91e-40
0.300
MAT-POS-b5746674-57
0.298
LON-WEI-8f408cad-4
0.297
AAR-POS-d2a4d1df-23
0.297
BEN-DND-03406596-10
0.297
DAN-MCD-5c762fbe-1
0.297
DAN-MCD-50ec7d1f-1
0.297
MAR-TRE-6a44bbf2-18
0.297
DRR-IMP-dff87f5e-6
0.293
NAU-LAT-c9bfe74c-1
0.293
MAT-POS-590ac91e-36
0.293
NAU-LAT-56d5284e-3
0.291
BEN-DND-7e92b6ca-9
0.290
DRR-IMP-dff87f5e-7
0.289
SAD-SAT-b55127ae-5
0.286
ERI-UCB-d6de1f3c-1
0.284
MAK-UNK-7c9d1431-6
0.280
DRR-IMP-dff87f5e-3
0.278
AAR-POS-d2a4d1df-44
0.278
ERI-UCB-a0b0dbcb-10
0.277
MAT-POS-54c4bf04-4
0.277
ABB-MCD-f8003a30-1
0.277
MAR-TRE-6a44bbf2-32
0.277
MAK-UNK-7c9d1431-10
0.277
ALE-MCD-a1893bfb-1
0.276
MAT-POS-590ac91e-48
0.276
BEN-DND-76ad4ac9-14
0.276
BEN-DND-03406596-3
0.276
NAU-LAT-c9bfe74c-2
0.275
MAR-LAB-efb042c5-5
0.275
MAR-TRE-6a44bbf2-68
0.275
MAK-UNK-10dfa458-46
0.275
AAR-POS-d2a4d1df-27
0.275
MAK-UNK-df1a028e-2
0.272
TAT-ENA-80bfd3e5-2
0.272
MAK-UNK-10dfa458-27
0.272
MAR-TRE-6a44bbf2-78
0.272