Molecular Properties | |
SMILES: | N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccc(F)cc34)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: | Z1239108048 |
Enamine Extended REAL: | s_22____469476____5350556 |
MolPort: | MolPort-047-552-858 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-16 |
Hetero_hetero
AAR-POS-d2a4d1df-1
MAT-POS-590ac91e-67
0.762
MAT-POS-590ac91e-56
0.750
MAT-POS-590ac91e-60
0.735
MAT-POS-590ac91e-69
0.682
MAT-POS-590ac91e-62
0.670
MAT-POS-590ac91e-68
0.632
MAT-POS-590ac91e-64
0.618
MAT-POS-590ac91e-66
0.549
MAT-POS-590ac91e-58
0.544
MAT-POS-590ac91e-65
0.543
MAT-POS-590ac91e-57
0.538
BEN-DND-7e92b6ca-7
0.500
MAT-POS-590ac91e-70
0.479
MAT-POS-590ac91e-61
0.475
MAT-POS-590ac91e-63
0.450
DRR-IMP-dff87f5e-9
0.434
MAT-POS-590ac91e-48
0.410
MAT-POS-916a2c5a-3
0.400
KRI-MAR-d2e3ef86-4
0.400
SAD-SAT-f2e2579e-10
0.385
ERI-UCB-a0b0dbcb-14
0.382
ERI-UCB-a0b0dbcb-3
0.376
BEN-DND-7e92b6ca-14
0.375
BEN-DND-7e92b6ca-15
0.356
MAR-TRE-6a44bbf2-58
0.349
KAY-MCD-d0fe5261-1
0.349
DRR-IMP-dff87f5e-1
0.349
BEN-DND-7e92b6ca-16
0.343
BEN-DND-7e92b6ca-6
0.337
MAT-POS-590ac91e-30
0.330
BEN-DND-7e92b6ca-13
0.330
NAU-LAT-c9bfe74c-1
0.327
MAT-POS-916a2c5a-4
0.327
EDJ-MED-78f964c8-1
0.327
ALP-POS-3fc1724e-3
0.324
BEN-DND-03406596-8
0.323
MAK-UNK-10dfa458-29
0.322
MAT-POS-590ac91e-33
0.321
ERI-UCB-a0b0dbcb-4
0.321
ALP-UNI-ed5cdfd2-3
0.321
KRI-MAR-d2e3ef86-5
0.317
BEN-DND-7e92b6ca-10
0.317
MAT-POS-590ac91e-47
0.314
MAT-POS-590ac91e-39
0.312
ERI-UCB-a0b0dbcb-13
0.309
ERI-UCB-a0b0dbcb-12
0.308
DRR-IMP-dff87f5e-6
0.308
ERI-UCB-a0b0dbcb-2
0.308
NAU-LAT-c9bfe74c-2
0.308
KRI-MAR-d2e3ef86-6
0.306
BEN-DND-7e92b6ca-11
0.305
KRI-MAR-d2e3ef86-13
0.305
KRI-MAR-d2e3ef86-7
0.302
ALP-POS-3fc1724e-4
0.302
MAT-POS-590ac91e-41
0.300
EDJ-MED-d1cd9639-1
0.300
MAR-UCB-f313ec4d-5
0.299
BEN-DND-7e92b6ca-12
0.299
MAT-POS-b5746674-57
0.298
ERI-UCB-a0b0dbcb-11
0.297
BEN-DND-03ad4429-3
0.297
DAN-MCD-5c762fbe-1
0.297
MAK-UNK-10dfa458-5
0.297
MAK-UNK-6435e6c2-5
0.295
MAT-POS-590ac91e-35
0.293
NAU-LAT-56d5284e-2
0.290
SAD-SAT-b55127ae-5
0.286
MAT-POS-590ac91e-49
0.284
TAT-ENA-80bfd3e5-2
0.284
LON-WEI-8f408cad-4
0.283
AAR-POS-d2a4d1df-23
0.283
DAN-MCD-50ec7d1f-1
0.283
BEN-DND-03406596-10
0.283
MAR-TRE-6a44bbf2-18
0.283
PEI-IMP-3d837503-4
0.281
MAT-POS-590ac91e-54
0.280
MAK-UNK-7c9d1431-6
0.280
NAU-LAT-56d5284e-3
0.279
JAN-GHE-fd8d85a5-7
0.278
AAR-POS-d2a4d1df-44
0.278
DRR-IMP-dff87f5e-3
0.278
BEN-DND-7e92b6ca-9
0.278
ERI-UCB-ce40166b-21
0.276
ALE-MCD-a1893bfb-1
0.276
DRR-IMP-dff87f5e-7
0.275
MAR-LAB-efb042c5-5
0.275
MAR-TRE-6a44bbf2-68
0.275
AAR-POS-d2a4d1df-27
0.275
SAN-PRS-3c4a6997-5
0.274
MAK-UNK-df1a028e-2
0.272
MAR-TRE-6a44bbf2-78
0.272
MAK-UNK-10dfa458-27
0.272
MAK-UNK-7c9d1431-13
0.272
MAK-UNK-7c9d1431-22
0.271
PEI-IMP-3d837503-2
0.270
NAU-LAT-c9bfe74c-4
0.266
MAK-UNK-c74072e5-8
0.266
MAK-UNK-7c9d1431-17
0.266
ERI-UCB-a0b0dbcb-6
0.265
MAT-POS-54c4bf04-4
0.265