Molecular Properties | |
SMILES: | O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cc(Br)cs1 |
MW: | 376.95 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 79.37 |
cLogP: | 2.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
trisub_bis_act_olefin
Michael acceptor
Six-membered heterocycles
Filter9_metal
aryl bromide
vinyl michael acceptor1
ene_six_het_A(483)
MAR-TRE-04c86cea-13
0.365
NIM-UNI-534877e5-1
0.337
TAT-ENA-80bfd3e5-49
0.330
MAR-TRE-74c6519b-26
0.308
MAR-TRE-74c6519b-18
0.308
RAI-NOV-c18e0037-1
0.299
PET-UNK-4dc48bbe-7
0.294
PET-UNK-4dc48bbe-9
0.293
NIM-UNI-36e12f95-3
0.291
DAR-DIA-fc970077-3
0.288
PET-UNK-4dc48bbe-1
0.284
MAK-UNK-9e4a73aa-3
0.280
NIM-UNI-0ea3b7bf-1
0.278
PET-UNK-7a31b064-5
0.275
NIM-UNI-0ea3b7bf-5
0.274
MAK-UNK-2c1752f0-3
0.271
PET-UNK-4dc48bbe-2
0.267
NIM-UNI-36e12f95-4
0.265
MAR-TRE-85681e92-87
0.265
EMI-TUK-6c6b371f-1
0.264
EMI-TUK-b780fc43-1
0.264
NIM-UNI-36e12f95-1
0.261
NIM-UNI-36e12f95-5
0.258
PET-UNK-7a31b064-6
0.255
JAN-GHE-83b26c96-18
0.247
DAR-DIA-fc970077-1
0.247
NIM-UNI-0ea3b7bf-2
0.245
RAI-NOV-c18e0037-7
0.241
NIM-UNI-36e12f95-2
0.240
MAK-UNK-9e4a73aa-18
0.239
DAR-DIA-fc970077-6
0.237
DAR-DIA-fc970077-10
0.237
MAR-TRE-2fd8122f-27
0.237
PET-UNK-94460c07-6
0.234
MAK-UNK-9e4a73aa-21
0.234
PET-UNK-94460c07-5
0.233
MAK-UNK-9e4a73aa-11
0.233
DAR-DIA-fc970077-12
0.233
DAR-DIA-fc970077-11
0.233
MAK-UNK-d1e89583-7
0.232
NIM-UNI-0ea3b7bf-3
0.232
MAK-UNK-9e4a73aa-20
0.232
KEI-TRE-d5e2018a-85
0.231
MIH-UNI-6b9ca91a-4
0.231
MAK-UNK-9e4a73aa-10
0.231
RAI-NOV-c18e0037-4
0.230
DAR-DIA-fc970077-7
0.230
DAR-DIA-fc970077-8
0.230
DAR-DIA-fc970077-5
0.229
PET-UNK-4dc48bbe-3
0.228
DAR-DIA-842b4336-1
0.228
MAK-UNK-bdda130a-2
0.228
PET-UNK-4dc48bbe-5
0.227
MAR-TRE-2fd8122f-96
0.227
RAI-NOV-c18e0037-2
0.226
MAK-UNK-9e4a73aa-24
0.226
MAK-UNK-9e4a73aa-25
0.226
MAK-UNK-9e4a73aa-22
0.226
MAK-UNK-9e4a73aa-27
0.226
MAK-UNK-9e4a73aa-23
0.226
MAK-UNK-9e4a73aa-26
0.226
MAK-UNK-9e4a73aa-19
0.226
MAK-UNK-9e4a73aa-17
0.224
DAR-DIA-fc970077-2
0.224
JAN-GHE-d851b096-5
0.223
MAK-UNK-9e4a73aa-12
0.223
MAK-UNK-9e4a73aa-33
0.222
NIM-UNI-7f77122c-1
0.221
MIH-UNI-6b9ca91a-8
0.220
NIM-UNI-534877e5-2
0.219
MAK-UNK-9e4a73aa-34
0.219
DAR-DIA-fc970077-4
0.218
MAR-TRE-85681e92-27
0.218
AUS-ARG-7cfdce8f-8
0.218
NIM-UNI-7ba87d62-4
0.218
RAI-NOV-c18e0037-3
0.216
RAI-NOV-c18e0037-6
0.216
SIM-SYN-a98e6a07-5
0.216
ERI-UCB-ce40166b-24
0.216
MAK-UNK-9e4a73aa-35
0.214
MAK-UNK-bdda130a-3
0.214
MAK-UNK-d1e89583-9
0.213
MAK-UNK-9e4a73aa-36
0.212
SAN-PRI-c9355cc8-2
0.212
CAS-DEP-167c18e3-4
0.211
MAR-TRE-9c797165-66
0.211
SIM-SYN-a98e6a07-6
0.210
MAK-UNK-bdda130a-1
0.210
MAK-UNK-9e4a73aa-7
0.208
MAK-UNK-9e4a73aa-8
0.208
MAK-UNK-9e4a73aa-32
0.208
MAR-TRE-2fd8122f-18
0.207
MIH-UNI-6b9ca91a-7
0.207
NIM-UNI-0ea3b7bf-4
0.206
MAK-UNK-bdda130a-6
0.206
WAR-XCH-eb7b662f-6
0.205
MAR-TRE-2fd8122f-81
0.205
MAT-POS-ea426761-67
0.204
MAK-UNK-bdda130a-7
0.204
JUL-TUD-06b2044f-78
0.204