Molecular Properties | |
SMILES: | O=C(NCc1cccc(C(=O)N2CCOCC2)c1)c1cnc2c(c1)c(=O)[nH]c(=O)n2Cc1ccccc1 |
MW: | 499.19 |
Fraction sp3: | 0.22 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 126.39 |
cLogP: | 1.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z850169270 |
MolPort: | MolPort-047-551-045 |
Order Status | |
Ordered: | 2020-05-30 |
Synthesis Location: | enamine |
Shipped: | 2020-06-24 |
Filter82_pyridinium
NIM-UNI-7f77122c-2
0.353
MAT-POS-b5746674-131
0.348
NIM-UNI-7f77122c-3
0.324
MAR-TRE-a9136c7b-11
0.314
PAT-GYR-de8eec61-1
0.313
JOO-IND-9269dfbd-2
0.312
JOO-IND-9269dfbd-1
0.310
GIA-UNK-3f36037a-6
0.305
TAM-UNI-d1c3dd9f-12
0.299
MAK-UNK-10799360-19
0.296
MAR-TRE-66ac689e-33
0.293
MAR-TRE-799db12b-18
0.289
PAT-GYR-de8eec61-3
0.287
MAR-TRE-799db12b-14
0.286
MAR-TRE-66ac689e-54
0.286
MAR-TRE-9d18ae8c-18
0.284
NIC-UNI-f08e2453-1
0.279
PAT-GYR-de8eec61-4
0.274
MAT-POS-b5746674-136
0.273
MAR-TRE-9d18ae8c-52
0.271
DAR-DIA-03336633-10
0.270
TAM-UNI-d1c3dd9f-7
0.267
MAT-POS-b5746674-132
0.266
PAT-GYR-de8eec61-6
0.266
MAR-TRE-799db12b-4
0.266
AAR-UNI-c25c2f1e-65
0.265
AAR-UNI-c25c2f1e-25
0.264
MAT-POS-b5746674-133
0.264
MAT-POS-b5746674-134
0.262
GIA-UNK-d2defdc3-6
0.261
MAR-TRE-9d18ae8c-36
0.261
MAR-TRE-799db12b-9
0.260
MAR-TRE-66ac689e-1
0.258
MAT-POS-b5746674-130
0.258
JUL-TUD-06b2044f-151
0.258
MAR-TRE-b77b7921-69
0.258
MAR-TRE-4b834d9a-93
0.258
MAR-TRE-799db12b-69
0.256
MAR-TRE-e82e6c98-25
0.256
LON-WEI-b2874fec-1
0.256
MAR-TRE-4b834d9a-50
0.256
AAR-UNI-c25c2f1e-2
0.254
MAR-TRE-92684b97-6
0.254
PAT-GYR-de8eec61-7
0.254
PAT-GYR-de8eec61-5
0.254
MAR-TRE-b77b7921-46
0.254
MAR-TRE-04c86cea-14
0.254
VLA-UNK-c3e99b7a-4
0.254
NIM-UNI-534877e5-2
0.254
MAR-TRE-799db12b-3
0.252
MAR-TRE-799db12b-24
0.252
MAR-TRE-8190bb11-34
0.252
MAR-TRE-799db12b-2
0.252
MAR-TRE-9d18ae8c-46
0.252
MAR-TRE-9d18ae8c-65
0.252
MAR-TRE-04c86cea-2
0.252
MAR-TRE-66ac689e-73
0.250
MAR-TRE-3e4e6814-64
0.250
MAR-TRE-9d18ae8c-30
0.250
MAK-UNK-a7992eb3-2
0.248
MAR-TRE-799db12b-21
0.248
BAR-COM-0f94fc3d-33
0.248
MAR-TRE-9d18ae8c-7
0.248
MAR-TRE-fd17a9b8-62
0.248
MAR-TRE-9d18ae8c-53
0.248
PET-SGC-cb83a00c-1
0.248
NIM-UNI-534877e5-3
0.246
MAR-TRE-f6f5f473-1
0.246
MAR-TRE-4b834d9a-52
0.246
NIC-UNI-0cb6411b-1
0.246
MAR-TRE-799db12b-51
0.246
MAR-TRE-9d18ae8c-11
0.246
MAR-TRE-799db12b-16
0.246
MAR-TRE-9d18ae8c-6
0.246
MAR-TRE-799db12b-27
0.246
GIA-UNK-d2defdc3-5
0.246
BEN-BAS-43e7cce2-1
0.245
MAR-TRE-4b834d9a-28
0.244
MAR-TRE-66ac689e-34
0.244
AAR-UNI-c25c2f1e-82
0.243
LON-WEI-4d77710c-10
0.242
LON-WEI-5e7d1b3e-10
0.242
MAR-TRE-f6f5f473-21
0.242
MAR-TRE-fd17a9b8-20
0.242
MAR-TRE-f6f5f473-89
0.242
MAR-TRE-9d18ae8c-49
0.242
PAT-GYR-de8eec61-2
0.242
AAR-UNI-c25c2f1e-35
0.241
PAT-GYR-359dbb24-3
0.241
PAT-GYR-359dbb24-2
0.241
MAR-TRE-4f781e27-2
0.240
NIM-UNI-7f77122c-1
0.240
MAR-TRE-66ac689e-37
0.239
DRA-CSI-47e38074-10
0.239
DAR-DIA-fb20be43-17
0.238
DAR-DIA-fb20be43-18
0.238
BEN-DND-7e92b6ca-10
0.238
KRI-MAR-d2e3ef86-5
0.238
RAL-MED-2de63afb-5
0.238
MAR-TRE-66ac689e-20
0.237