Molecular Properties | |
SMILES: | C=CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 |
MW: | 401.08 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 96.02 |
cLogP: | 0.94 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-6697381 |
Enamine REAL: | Z2693798233 |
Enamine Extended REAL: | m_273270____12316020____10884640 |
Mcule: | MCULE-9149668334 |
MolPort: | MolPort-044-379-831 |
Activated haloaromatics
Dye 22
Hetero_hetero
AAR-POS-0daf6b7e-1
MAR-TRE-6a44bbf2-42
0.470
MAR-TRE-6a44bbf2-83
0.469
AHN-SAT-de2502ba-13
0.469
SAD-SAT-f0a2747f-5
0.388
MAR-TRE-6a44bbf2-100
0.356
MAR-TRE-6a44bbf2-20
0.356
SAD-SAT-65574d3f-8
0.356
AHN-SAT-de2502ba-12
0.356
AHN-SAT-de2502ba-4
0.356
SAD-SAT-2ceae68f-1
0.351
AHN-SAT-de2502ba-16
0.345
SAD-SAT-2ceae68f-5
0.333
MAR-TRE-2fd8122f-35
0.330
AHN-SAT-de2502ba-9
0.326
SAD-SAT-2ceae68f-9
0.308
MAR-TRE-6a44bbf2-63
0.301
MAR-TRE-3e4e6814-92
0.300
SAD-SAT-135344c3-1
0.297
MAR-TRE-9c797165-3
0.292
BAR-COM-4e090d3a-66
0.288
MAR-TRE-4f781e27-67
0.286
KEI-TRE-d5e2018a-52
0.280
MAR-TRE-2fd8122f-15
0.280
MAR-TRE-799db12b-64
0.280
MAK-UNK-69bf97dd-6
0.279
STU-CHA-128b80be-2
0.276
MAR-TRE-799db12b-34
0.276
MAR-TRE-2fd8122f-94
0.275
MAR-TRE-6a44bbf2-85
0.274
KEI-TRE-d5e2018a-13
0.272
MAR-TRE-2fd8122f-55
0.271
ROD-UFR-93b30032-1
0.270
AHN-SAT-b1e6fbb2-1
0.269
MAR-TRE-2fd8122f-31
0.267
MAR-TRE-a3327163-68
0.267
MAK-UNK-69bf97dd-5
0.267
MAR-TRE-2fd8122f-86
0.265
SAD-SAT-b55127ae-2
0.265
MAR-TRE-67513f76-51
0.265
KEI-TRE-d5e2018a-53
0.264
MAR-TRE-6a44bbf2-76
0.264
MAR-TRE-8190bb11-100
0.260
KEI-TRE-d5e2018a-22
0.257
MAR-TRE-f5c2d31c-42
0.257
SAD-SAT-1f400d17-2
0.256
MAR-TRE-6a44bbf2-93
0.256
JAN-GHE-4287bd1a-1
0.256
KEI-TRE-d5e2018a-32
0.255
MAR-TRE-3e4e6814-34
0.255
KEI-TRE-d5e2018a-10
0.255
MAR-TRE-f5c2d31c-19
0.255
GIA-UNK-3f36037a-2
0.253
MAR-TRE-6a44bbf2-89
0.253
MAR-TRE-6a44bbf2-34
0.253
TAT-ENA-80bfd3e5-27
0.252
MAR-TRE-d0525fbf-99
0.252
MAR-TRE-6a44bbf2-95
0.250
KEI-TRE-d5e2018a-61
0.250
AHN-SAT-de2502ba-6
0.250
MAK-UNK-7c9d1431-12
0.250
MAR-TRE-a9136c7b-65
0.250
MAR-TRE-6a44bbf2-43
0.250
MAT-POS-b5746674-85
0.248
KEI-TRE-d5e2018a-9
0.248
MAK-UNK-987948f6-11
0.248
DAV-IMP-59dd6621-1
0.247
MAR-TRE-6a44bbf2-74
0.247
MED-COV-4280ac29-22
0.245
MAK-UNK-009ebe36-4
0.245
MAR-TRE-c317dd82-23
0.245
MAR-TRE-fd17a9b8-74
0.245
AHN-SAT-de2502ba-5
0.245
SAD-SAT-2ceae68f-2
0.243
MAR-TRE-f5c2d31c-81
0.243
TAT-ENA-80bfd3e5-34
0.241
MAR-TRE-f5c2d31c-35
0.241
MAR-TRE-f5c2d31c-13
0.241
MAR-TRE-a9136c7b-11
0.241
MAR-TRE-67513f76-60
0.240
IND-SYN-6c8299e8-9
0.240
WIL-LEE-23e8b574-8
0.240
MAR-TRE-d0525fbf-20
0.239
MAR-TRE-9c797165-100
0.239
AHN-SAT-de2502ba-19
0.239
NIM-UNI-43fe0159-7
0.239
SAD-SAT-7d5528d9-2
0.238
MAR-TRE-6a44bbf2-38
0.237
MAK-UNK-7c9d1431-1
0.237
MAR-TRE-a9136c7b-38
0.237
MAR-TRE-f5c2d31c-22
0.236
SAD-SAT-b55127ae-5
0.236
BAR-COM-0f94fc3d-33
0.236
JUA-UNI-bc099708-3
0.236
MAR-TRE-fd17a9b8-62
0.235
JOH-UNI-522b0723-10
0.235
MAR-TRE-a9136c7b-17
0.235
ROD-UFR-9b69e111-1
0.235
MAR-TRE-6a44bbf2-30
0.234
AHN-SAT-de2502ba-2
0.234
AHN-SAT-de2502ba-17
0.234