Molecular Properties | |
SMILES: | COc1ccccc1OC1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Cl)cc23)C1 |
MW: | 412.12 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 71.63 |
cLogP: | 3.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2093476360 |
MolPort: | MolPort-047-551-379 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-16 |
AAR-POS-d2a4d1df-1
ERI-UCB-a0b0dbcb-6
0.596
MAT-POS-590ac91e-48
0.505
ERI-UCB-a0b0dbcb-9
0.500
MAT-POS-590ac91e-44
0.495
MAT-POS-590ac91e-58
0.446
MAT-POS-590ac91e-43
0.433
MAT-POS-590ac91e-70
0.433
MAT-POS-590ac91e-42
0.433
MAT-POS-590ac91e-49
0.431
MAT-POS-590ac91e-66
0.423
ERI-UCB-a0b0dbcb-5
0.400
MAT-UCB-70f7c0f7-4
0.377
EDJ-MED-d1cd9639-1
0.376
ADA-UCB-b1b30a00-2
0.373
MAT-UCB-70f7c0f7-3
0.373
BEN-DND-7e92b6ca-13
0.371
ERI-UCB-a0b0dbcb-8
0.367
MAT-POS-590ac91e-51
0.366
MAT-POS-54c4bf04-4
0.364
MAT-POS-590ac91e-55
0.360
DAR-DIA-1a77c53a-20
0.356
DAR-DIA-1a77c53a-2
0.351
DAR-DIA-1a77c53a-23
0.350
ERI-UCB-d6de1f3c-8
0.348
DAR-DIA-1a77c53a-18
0.345
DAR-DIA-1a77c53a-19
0.344
DAR-DIA-1a77c53a-3
0.344
DAR-DIA-1a77c53a-4
0.344
NAU-LAT-56d5284e-2
0.343
NAU-LAT-56d5284e-3
0.342
MAT-POS-590ac91e-69
0.339
DAR-DIA-1a77c53a-9
0.339
VLA-UCB-eb340134-3
0.336
DAR-DIA-1a77c53a-1
0.336
DAR-DIA-1a77c53a-17
0.336
DAR-DIA-1a77c53a-6
0.333
DAR-DIA-1a77c53a-5
0.333
MAT-POS-590ac91e-67
0.333
DAR-DIA-1a77c53a-24
0.333
DAR-DIA-1a77c53a-10
0.331
DAR-DIA-1a77c53a-11
0.331
MAT-POS-590ac91e-68
0.330
DAR-DIA-1a77c53a-22
0.328
ALP-POS-3fc1724e-4
0.328
MAT-POS-590ac91e-45
0.328
MAT-POS-590ac91e-39
0.327
EDJ-MED-d1cd9639-2
0.327
MAT-POS-590ac91e-53
0.325
NAU-LAT-56d5284e-8
0.324
MAT-POS-590ac91e-56
0.324
ERI-UCB-a0b0dbcb-2
0.324
MAT-POS-3b536971-2
0.321
DAR-DIA-1a77c53a-7
0.319
DAR-DIA-8e329c92-5
0.319
DAR-DIA-8e329c92-4
0.319
DAR-DIA-1a77c53a-16
0.318
MAT-POS-590ac91e-41
0.316
DAR-DIA-1a77c53a-21
0.315
DAR-DIA-1a77c53a-15
0.315
DAR-DIA-1a77c53a-8
0.314
BEN-DND-b89db3f2-5
0.313
EDJ-MED-edeb0d3a-1
0.313
ERI-UCB-d6de1f3c-1
0.312
JAG-UCB-c37fbdcd-1
0.310
KRI-MAR-d2e3ef86-13
0.309
BEN-DND-7e92b6ca-11
0.309
DAR-DIA-1a77c53a-14
0.309
DAR-DIA-8e329c92-7
0.308
VLA-UCB-eb340134-1
0.307
DAR-DIA-1a77c53a-13
0.305
DAR-DIA-1a77c53a-12
0.305
ALP-POS-05819dc4-1
0.304
MAR-UCB-f313ec4d-5
0.304
BEN-DND-7e92b6ca-12
0.304
ERI-UCB-a0b0dbcb-7
0.303
BEN-DND-7e92b6ca-6
0.301
ERI-UCB-a0b0dbcb-12
0.301
ERI-UCB-d6de1f3c-3
0.299
BEN-DND-7e92b6ca-14
0.299
DAR-DIA-8e329c92-6
0.298
ALP-POS-fc6c627f-3
0.298
ERI-UCB-d6de1f3c-4
0.297
DAR-DIA-8e329c92-8
0.296
ADA-UCB-6c2cb422-8
0.295
NAU-LAT-56d5284e-5
0.295
MAT-POS-590ac91e-62
0.294
JAG-UCB-c37fbdcd-2
0.294
ERI-UCB-a0b0dbcb-1
0.293
ERI-UCB-ce40166b-21
0.292
MAT-POS-590ac91e-33
0.291
MAT-POS-590ac91e-64
0.291
ERI-UCB-a0b0dbcb-11
0.291
JAN-GHE-82a280f8-1
0.287
MAT-POS-590ac91e-35
0.287
MAT-POS-916a2c5a-2
0.286
NAU-LAT-56d5284e-1
0.286
BEN-DND-7e92b6ca-2
0.286
BEN-DND-7e92b6ca-15
0.286
ALP-POS-bea7b391-2
0.285
KRI-MAR-d2e3ef86-5
0.284