Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1N1CCN(Cc2cc(=O)[nH]c3ccccc23)C1=O |
MW: | 383.1 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.64 |
cLogP: | 3.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-06-25 |
Synthesis Location: | wuxi |
Shipped: | 2020-07-21 |
JAG-UCB-c37fbdcd-2
0.626
DAR-DIA-53551c05-21
0.398
ALP-POS-3fc1724e-4
0.394
MAT-POS-3b92565d-4
0.390
MAT-POS-e1b5ac6b-2
0.390
DAR-DIA-53551c05-18
0.387
EDJ-MED-d1cd9639-1
0.385
JUL-TUD-06b2044f-112
0.382
DAR-DIA-53551c05-19
0.374
DAR-DIA-53551c05-16
0.370
JUL-TUD-06b2044f-110
0.346
ALP-POS-05819dc4-1
0.346
DAR-DIA-1a77c53a-1
0.343
EDJ-MED-edeb0d3a-1
0.343
BEN-DND-b89db3f2-5
0.343
BEN-DND-7e92b6ca-13
0.340
MIC-UNK-b9827f26-4
0.333
JUL-TUD-06b2044f-81
0.330
ALP-POS-75715966-3
0.324
MAT-POS-3b92565d-5
0.324
DAR-DIA-1a77c53a-23
0.322
JUL-TUD-06b2044f-111
0.321
ERI-UCB-a0b0dbcb-11
0.318
ERI-UCB-a0b0dbcb-12
0.318
LON-WEI-1908424e-9
0.317
DAR-DIA-1a77c53a-3
0.317
DAR-DIA-1a77c53a-4
0.317
DAR-DIA-1a77c53a-18
0.316
DAR-DIA-1a77c53a-20
0.316
MAR-TRE-92684b97-53
0.313
DAR-DIA-1a77c53a-7
0.313
DAR-DIA-1a77c53a-9
0.310
MAT-POS-590ac91e-54
0.310
ERI-UCB-a0b0dbcb-6
0.309
BEN-DND-7e92b6ca-12
0.308
MAR-UCB-f313ec4d-5
0.308
VLA-UCB-eb340134-4
0.308
ERI-UCB-a0b0dbcb-2
0.305
DAR-DIA-1a77c53a-10
0.303
DAR-DIA-1a77c53a-11
0.303
BEN-DND-7e92b6ca-11
0.302
KRI-MAR-d2e3ef86-13
0.302
ALP-POS-fc6c627f-3
0.302
DAR-DIA-1a77c53a-16
0.302
BEN-DND-7e92b6ca-10
0.301
KRI-MAR-d2e3ef86-5
0.301
MAT-POS-54c4bf04-4
0.297
ALP-POS-3fc1724e-3
0.296
ADA-UCB-6c2cb422-10
0.294
ERI-UCB-d6de1f3c-1
0.294
MAR-UCB-d1255a91-2
0.293
DAR-DIA-1a77c53a-22
0.291
BEN-DND-7e92b6ca-2
0.290
ERI-UCB-a0b0dbcb-9
0.290
MAT-POS-590ac91e-43
0.288
VLA-UCB-eb340134-1
0.288
ERI-UCB-a0b0dbcb-8
0.288
MAT-POS-3b92565d-6
0.287
ERI-UCB-a0b0dbcb-5
0.287
EDJ-MED-d1cd9639-2
0.286
ERI-UCB-a0b0dbcb-1
0.286
ROB-UNI-daaf9793-1
0.284
MAT-POS-e1b5ac6b-1
0.284
ADA-UCB-6c2cb422-11
0.283
VLA-UCB-eb340134-2
0.283
VLA-UCB-eb340134-3
0.283
JAN-GHE-82a280f8-3
0.283
NAU-LAT-56d5284e-8
0.282
KRI-MAR-d2e3ef86-6
0.279
JAN-GHE-82a280f8-1
0.279
DAR-DIA-8e329c92-5
0.278
MAT-POS-916a2c5a-2
0.278
MAR-UCB-f313ec4d-1
0.278
ADA-UCB-6c2cb422-8
0.277
MAT-POS-590ac91e-42
0.277
NAU-LAT-56d5284e-3
0.277
BEN-DND-7e92b6ca-16
0.276
NAU-LAT-a5c7d7cb-7
0.275
MAR-UCB-f313ec4d-4
0.275
NAU-LAT-56d5284e-2
0.275
MAR-UCB-d1255a91-1
0.275
ALP-POS-3fc1724e-1
0.274
MAT-UCB-93f6aed8-1
0.274
MAT-POS-3b92565d-7
0.274
MAT-UCB-70f7c0f7-4
0.273
NAU-LAT-a5c7d7cb-9
0.273
JAG-UCB-c61058a9-45
0.272
NAU-LAT-b7d8c353-3
0.272
FRA-DIA-e29753f2-1
0.272
BEN-DND-b89db3f2-1
0.272
JUL-TUD-06b2044f-92
0.272
ERI-UCB-d6de1f3c-8
0.272
EDJ-MED-edeb0d3a-3
0.272
ERI-UCB-a0b0dbcb-13
0.272
VLA-UCB-05e51b3f-18
0.272
VLA-UCB-50c39ae8-11
0.272
EDJ-MED-78f964c8-1
0.272
MAT-POS-916a2c5a-4
0.272
DAR-DIA-8e329c92-7
0.269
MAK-UNK-df1a028e-3
0.269