Molecular Properties | |
SMILES: | O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1 |
MW: | 397.11 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 90.55 |
cLogP: | 1.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine Extended REAL: | s_22____411360____59160 |
MolPort: | MolPort-047-548-930 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-10 |
Hetero_hetero
AAR-POS-d2a4d1df-1
MAT-POS-916a2c5a-3
0.701
KRI-MAR-d2e3ef86-4
0.701
MAT-POS-590ac91e-58
0.688
MAT-POS-590ac91e-56
0.679
MAT-POS-590ac91e-57
0.679
BEN-DND-7e92b6ca-6
0.639
EDJ-MED-78f964c8-1
0.613
MAT-POS-916a2c5a-4
0.613
BEN-DND-7e92b6ca-10
0.590
KRI-MAR-d2e3ef86-5
0.590
BEN-DND-7e92b6ca-14
0.557
BEN-DND-7e92b6ca-16
0.550
MAT-POS-590ac91e-66
0.535
ERI-UCB-a0b0dbcb-2
0.530
BEN-DND-7e92b6ca-13
0.524
BEN-DND-7e92b6ca-11
0.524
BEN-DND-7e92b6ca-15
0.524
KRI-MAR-d2e3ef86-13
0.524
ERI-UCB-a0b0dbcb-4
0.523
KRI-MAR-d2e3ef86-7
0.518
MAT-POS-590ac91e-67
0.517
MAT-POS-590ac91e-60
0.517
ERI-UCB-a0b0dbcb-3
0.512
BEN-DND-7e92b6ca-12
0.512
ALP-POS-3fc1724e-3
0.512
MAR-UCB-f313ec4d-5
0.512
MAT-POS-590ac91e-65
0.511
ERI-UCB-a0b0dbcb-12
0.506
MAT-POS-590ac91e-69
0.506
ERI-UCB-a0b0dbcb-14
0.500
KRI-MAR-d2e3ef86-6
0.500
MAT-POS-590ac91e-59
0.500
NAU-LAT-56d5284e-2
0.500
NAU-LAT-56d5284e-3
0.494
MAT-POS-590ac91e-70
0.494
EDJ-MED-d1cd9639-1
0.489
ERI-UCB-a0b0dbcb-11
0.484
ERI-UCB-a0b0dbcb-13
0.484
BEN-DND-7e92b6ca-9
0.483
ERI-UCB-ce40166b-21
0.463
MAK-UNK-df1a028e-2
0.462
MAT-POS-590ac91e-68
0.462
MAK-UNK-df1a028e-3
0.460
ERI-UCB-d6de1f3c-1
0.456
NAU-LAT-56d5284e-5
0.449
ALP-POS-3fc1724e-4
0.449
MAT-POS-590ac91e-61
0.442
MAT-POS-54c4bf04-4
0.441
NAU-LAT-56d5284e-8
0.440
ERI-UCB-a0b0dbcb-9
0.438
ERI-UCB-a0b0dbcb-5
0.438
MAT-POS-590ac91e-62
0.438
ERI-UCB-a0b0dbcb-8
0.430
DAR-DIA-53551c05-20
0.427
ERI-UCB-a0b0dbcb-6
0.426
ERI-UCB-a0b0dbcb-1
0.426
ERI-UCB-a0b0dbcb-10
0.426
PEI-IMP-3d837503-2
0.425
DAR-DIA-53551c05-22
0.424
MAT-POS-590ac91e-64
0.421
MAR-TRE-6a44bbf2-21
0.419
MAK-UNK-7c9d1431-9
0.419
PEI-IMP-3d837503-4
0.419
MAT-POS-590ac91e-63
0.417
VLA-UCB-eb340134-4
0.413
ERI-UCB-d6de1f3c-8
0.406
ERI-UCB-a0b0dbcb-7
0.404
VLA-UCB-eb340134-1
0.400
VLA-UCB-eb340134-3
0.392
BEN-DND-7e92b6ca-5
0.391
JAN-GHE-82a280f8-1
0.389
BEN-DND-7e92b6ca-4
0.379
VLA-UCB-eb340134-2
0.378
MAR-UCB-d1255a91-1
0.375
MAR-UCB-d1255a91-2
0.373
ERI-UCB-d6de1f3c-4
0.364
KRI-MAR-d2e3ef86-12
0.362
DAR-DIA-53551c05-17
0.360
BEN-DND-7e92b6ca-3
0.359
ERI-UCB-d6de1f3c-3
0.355
PEI-IMP-3d837503-3
0.351
NAU-LAT-56d5284e-1
0.347
NAU-LAT-56d5284e-4
0.347
GIA-UNK-5ec6c2b8-4
0.347
ALP-UNI-ed5cdfd2-7
0.344
KRI-MAR-d2e3ef86-15
0.344
NAU-LAT-c9bfe74c-4
0.344
ALP-POS-3fc1724e-1
0.340
ADA-UCB-b1b30a00-1
0.337
MAT-POS-916a2c5a-2
0.333
JAR-KUA-41bd5a3d-4
0.333
NAU-LAT-56d5284e-6
0.333
DAR-DIA-8e329c92-11
0.330
ALP-UNI-ed5cdfd2-5
0.330
NAU-LAT-a5c7d7cb-7
0.330
NAU-LAT-56d5284e-7
0.330
ALP-POS-05819dc4-1
0.327
DAR-DIA-8e329c92-10
0.327
MAT-POS-54c4bf04-1
0.327
DAR-DIA-8e329c92-9
0.326