Molecular Properties | |
SMILES: | COc1ccc(C(=O)NCC(N)=O)cc1 |
MW: | 208.08 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 81.42 |
cLogP: | -0.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-04-16 |
MAR-TRE-0fda4e82-74
0.578
MAR-TRE-799db12b-84
0.375
MAR-TRE-e86a56b5-46
0.371
MAR-TRE-d3c2bf0e-29
0.351
MAR-TRE-1c920f6f-59
0.339
MAR-TRE-fd17a9b8-61
0.328
MAR-TRE-fd17a9b8-31
0.312
MAR-TRE-e86a56b5-83
0.310
MAR-TRE-799db12b-46
0.309
MAR-TRE-66ac689e-57
0.308
MAR-TRE-66ac689e-23
0.308
MAR-TRE-799db12b-41
0.303
MAR-TRE-66ac689e-18
0.299
LIZ-THE-6efed59f-3
0.298
MAR-TRE-799db12b-47
0.294
MAR-TRE-e86a56b5-64
0.293
SAN-PRS-c955de36-1
0.292
MAR-TRE-0fda4e82-41
0.291
MAR-TRE-799db12b-94
0.290
MAR-TRE-e86a56b5-74
0.288
MAR-TRE-be9ff7d2-73
0.286
MAR-TRE-66ac689e-98
0.286
MAT-POS-ea426761-12
0.284
MAR-TRE-799db12b-50
0.282
MAR-TRE-85681e92-91
0.281
LON-WEI-ff7b210a-6
0.280
MAR-TRE-a9136c7b-78
0.280
MAR-TRE-4f781e27-60
0.280
MAR-TRE-799db12b-80
0.278
DAV-IMP-59dd6621-24
0.277
JOH-MSK-ec639444-3
0.277
AMD-UAU-3d234461-1
0.277
DRA-CSI-47e38074-13
0.275
MAR-TRE-e82e6c98-14
0.274
MAR-TRE-e82e6c98-77
0.273
MAT-POS-4e253971-3
0.273
MAR-TRE-799db12b-87
0.270
MAR-TRE-a9136c7b-59
0.270
MAR-TRE-a3327163-40
0.270
MAR-TRE-be9ff7d2-49
0.269
MAR-TRE-be9ff7d2-40
0.268
DRV-DNY-ae159ed1-7
0.268
MAR-TRE-4f781e27-16
0.268
MAR-TRE-66ac689e-89
0.267
MAR-TRE-6c5ef77a-25
0.267
MAR-TRE-e82e6c98-76
0.265
MAR-TRE-1c920f6f-94
0.264
MAR-TRE-a9136c7b-69
0.263
MAR-TRE-6c5ef77a-57
0.262
MAR-TRE-92684b97-14
0.260
MAR-TRE-92684b97-92
0.260
AAR-POS-0daf6b7e-18
0.258
MAR-TRE-799db12b-31
0.257
MAR-TRE-7f7bb9f0-90
0.254
MAR-TRE-9d18ae8c-90
0.253
MAR-TRE-92684b97-96
0.253
MAR-TRE-f5c2d31c-60
0.250
MAR-TRE-fd17a9b8-57
0.250
MAR-TRE-a9136c7b-5
0.250
MAR-TRE-a9136c7b-98
0.250
MAR-TRE-799db12b-28
0.250
MAR-TRE-8190bb11-67
0.250
MAR-TRE-be9ff7d2-7
0.247
MAR-TRE-9d18ae8c-13
0.247
RAL-THA-2d450e86-4
0.247
MAT-POS-b5746674-56
0.246
EVA-UNK-a6bd3264-1
0.246
MAR-TRE-0fda4e82-97
0.246
MAT-POS-7dfc56d9-1
0.245
ALP-POS-a3de0cb1-15
0.244
GAB-REV-70cc3ca5-5
0.244
GAB-REV-70cc3ca5-15
0.244
MAR-TRE-92684b97-68
0.244
MAR-TRE-c8530538-69
0.244
KEI-TRE-d5e2018a-92
0.244
MAR-TRE-66ac689e-97
0.243
MAR-TRE-8190bb11-95
0.243
MAR-UCB-195bc32d-21
0.243
ALE-ACE-2610ee4d-1
0.243
MAR-TRE-92684b97-77
0.243
JOH-MSK-35a8745a-1
0.243
JON-UNI-4b544d07-6
0.242
MAR-TRE-e86a56b5-93
0.242
MAR-TRE-c317dd82-38
0.241
MAR-TRE-6c5ef77a-65
0.241
DAN-RED-da448e80-13
0.241
MAR-TRE-be9ff7d2-95
0.241
MAR-TRE-92684b97-1
0.241
MAR-TRE-fd17a9b8-73
0.240
MAR-TRE-7f7bb9f0-16
0.240
MAR-TRE-f5c2d31c-76
0.240
WIL-UNI-1faa9b10-56
0.240
KEI-TRE-d5e2018a-27
0.240
JOH-MEM-5e386bbd-1
0.239
MAR-TRE-a3327163-100
0.239
MAK-UNK-7c9d1431-17
0.239
MAR-TRE-6a44bbf2-77
0.239
MAR-UCB-f313ec4d-2
0.237
MAT-POS-91829f0d-1
0.237
MAR-TRE-8190bb11-38
0.237