Molecular Properties | |
SMILES: | Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccc(Cl)cc34)CC2)cc1 |
MW: | 445.09 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 90.55 |
cLogP: | 2.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1172514450 |
MolPort: | MolPort-047-551-822 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-16 |
Hetero_hetero
AAR-POS-d2a4d1df-1
MAT-POS-590ac91e-58
0.789
MAT-POS-590ac91e-70
0.655
MAT-POS-590ac91e-67
0.643
MAT-POS-590ac91e-56
0.575
MAT-POS-590ac91e-69
0.573
MAT-POS-590ac91e-59
0.549
BEN-DND-7e92b6ca-7
0.535
MAT-POS-590ac91e-64
0.516
MAT-POS-590ac91e-68
0.495
MAT-POS-590ac91e-65
0.479
MAT-POS-590ac91e-57
0.473
MAT-POS-590ac91e-60
0.469
MAT-POS-916a2c5a-3
0.442
KRI-MAR-d2e3ef86-4
0.442
MAT-POS-590ac91e-62
0.440
AAR-POS-d2a4d1df-27
0.430
MAR-TRE-6a44bbf2-68
0.430
MAR-LAB-efb042c5-5
0.430
MAT-POS-590ac91e-54
0.423
MAT-POS-590ac91e-63
0.420
MAT-POS-b5746674-55
0.388
ERI-UCB-a0b0dbcb-2
0.385
MAT-POS-b5746674-57
0.377
EDJ-MED-d1cd9639-1
0.373
SAD-SAT-2fd372d1-9
0.371
BEN-DND-7e92b6ca-6
0.363
MAT-POS-590ac91e-61
0.362
SIM-SYN-3099a863-2
0.358
ERI-UCB-a0b0dbcb-12
0.356
NAU-LAT-56d5284e-2
0.350
MAT-POS-590ac91e-42
0.350
DRR-IMP-dff87f5e-3
0.349
AAR-POS-d2a4d1df-44
0.349
MAR-LAB-ff9967db-22
0.346
SAD-SAT-9a6c5cf3-2
0.343
ERI-UCB-a0b0dbcb-4
0.343
BEN-DND-7e92b6ca-16
0.340
BEN-DND-7e92b6ca-10
0.340
KRI-MAR-d2e3ef86-5
0.340
BEN-DND-7e92b6ca-13
0.340
BEN-DND-7e92b6ca-15
0.340
MAR-LAB-ff9967db-29
0.337
MAT-POS-916a2c5a-4
0.337
EDJ-MED-78f964c8-1
0.337
KRI-MAR-d2e3ef86-7
0.337
NAU-LAT-56d5284e-3
0.337
MAT-POS-54c4bf04-4
0.333
MAT-POS-590ac91e-53
0.330
SIM-SYN-3099a863-3
0.330
BEN-DND-7e92b6ca-14
0.330
NAU-LAT-f723e322-6
0.330
BEN-DND-7e92b6ca-11
0.327
KRI-MAR-d2e3ef86-13
0.327
MAT-POS-590ac91e-51
0.324
MAT-POS-590ac91e-43
0.324
ALP-POS-3fc1724e-4
0.321
BEN-DND-7e92b6ca-12
0.320
ERI-UCB-a0b0dbcb-3
0.320
MAR-UCB-f313ec4d-5
0.320
ALP-POS-3fc1724e-3
0.320
DRR-IMP-dff87f5e-6
0.318
MAT-POS-590ac91e-55
0.318
DAR-DIA-1a77c53a-1
0.318
ERI-UCB-d6de1f3c-1
0.317
BAP-BUY-55f8bcae-1
0.315
KAY-MCD-d0fe5261-1
0.314
MAR-TRE-6a44bbf2-58
0.314
DRR-IMP-dff87f5e-1
0.314
MAR-TRE-6a44bbf2-78
0.310
MAK-UNK-7c9d1431-13
0.310
EDJ-MED-d1cd9639-2
0.308
MAK-UNK-7c9d1431-22
0.308
ERI-UCB-a0b0dbcb-11
0.306
NAU-LAT-56d5284e-8
0.305
MAK-UNK-7c9d1431-17
0.303
MAK-UNK-df1a028e-2
0.303
ERI-UCB-a0b0dbcb-14
0.302
KRI-MAR-d2e3ef86-6
0.302
MAT-POS-3b536971-2
0.302
MAR-TRE-6a44bbf2-32
0.300
MAK-UNK-7c9d1431-10
0.300
DRR-IMP-dff87f5e-8
0.300
ABB-MCD-f8003a30-1
0.300
DRR-IMP-dff87f5e-7
0.299
SEL-UNI-c5c112eb-2
0.298
NAU-LAT-56d5284e-5
0.298
DAR-DIA-1a77c53a-2
0.297
JAY-UNK-11f5bdbd-1
0.295
SAD-SAT-b55127ae-5
0.295
ERI-UCB-ce40166b-21
0.295
MAT-POS-590ac91e-48
0.295
ERI-UCB-a0b0dbcb-13
0.294
ERI-UCB-d6de1f3c-8
0.294
MAK-UNK-6435e6c2-5
0.291
MAK-UNK-7c9d1431-9
0.291
MAR-TRE-6a44bbf2-21
0.291
PEI-IMP-3d837503-4
0.291
BEN-DND-03406596-8
0.290
MAK-UNK-c74072e5-8
0.289
MAR-TRE-6a44bbf2-26
0.289