Molecular Properties | |
SMILES: | COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc4c(c3)NC(=O)C(C)S4)CC2)cc1 |
MW: | 504.15 |
Fraction sp3: | 0.39 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 99.26 |
cLogP: | 2.1 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
p-Alkoxy-N,N-dialkyl anilines
Dye 22
Hetero_hetero
anil_di_alk_C(246)
MAR-LAB-ff9967db-16
0.673
AAR-POS-0daf6b7e-18
0.400
MAT-POS-b5746674-53
0.375
MAR-LAB-ff9967db-9
0.357
MAR-TRE-b77b7921-17
0.336
KRI-MAR-d2e3ef86-13
0.319
BEN-DND-7e92b6ca-11
0.319
MAR-LAB-ff9967db-22
0.292
MAK-UNK-7c9d1431-17
0.272
MAT-POS-162a9720-5
0.270
MAK-UNK-acefcb18-20
0.269
MAT-POS-162a9720-4
0.268
NIM-UNI-310206f0-11
0.267
YOI-UNK-090ea88a-1
0.263
NIM-UNI-310206f0-19
0.262
PEI-IMP-668afc53-1
0.261
NIM-UNI-310206f0-48
0.256
PEI-IMP-ca0b2813-3
0.245
LAV-MCD-880a620a-1
0.243
MAR-TRE-fffca54f-100
0.242
PEI-IMP-668afc53-2
0.237
MAT-POS-590ac91e-65
0.236
WAR-XCH-b6889685-54
0.235
NIM-UNI-310206f0-33
0.235
SAD-SAT-65574d3f-9
0.235
DAV-UNK-07f953a2-2
0.235
WAR-XCH-b6889685-6
0.235
SAD-SAT-89668ff1-6
0.235
NIM-UNI-310206f0-28
0.234
MAR-TRE-fd17a9b8-97
0.234
MAT-POS-162a9720-2
0.234
NIL-NON-a189c016-1
0.234
MAK-UNK-3f402c2b-27
0.234
SAD-SAT-5b1897b2-4
0.233
ANT-STE-dbb91f63-1
0.233
WAR-XCH-b6889685-58
0.232
MAR-TRE-6a44bbf2-45
0.232
MAK-UNK-7c9d1431-30
0.232
DRV-UNK-64047f27-5
0.232
DRV-UNK-dd7f8c68-4
0.232
NIM-UNI-310206f0-14
0.232
ALP-POS-c0c213c9-2
0.232
MAR-TRE-fd17a9b8-31
0.231
BRU-UNI-418e22dc-7
0.231
NIM-UNI-05f93fcc-15
0.231
DAR-DIA-fb20be43-18
0.230
ANT-OPE-7824651a-1
0.230
MAR-TRE-04c86cea-7
0.229
MAT-POS-b5746674-62
0.229
GIA-UNK-4de5abb1-5
0.228
BEN-DND-7e92b6ca-12
0.228
MAR-TRE-7f7bb9f0-58
0.228
MAR-UCB-f313ec4d-5
0.228
BRU-UNI-248b30bc-10
0.227
WAR-XCH-b6889685-8
0.227
WAR-XCH-b72a1bbc-48
0.226
WAR-XCH-b6889685-2
0.226
WAR-XCH-b6889685-3
0.226
NIM-UNI-310206f0-45
0.226
WAR-XCH-b6889685-30
0.225
WAR-XCH-b72a1bbc-49
0.224
MAR-TRE-6a44bbf2-77
0.224
WAR-XCH-b6889685-1
0.224
WAR-XCH-b6889685-64
0.223
WAR-XCH-b72a1bbc-45
0.222
WAR-XCH-b6889685-7
0.222
WAR-XCH-b6889685-29
0.222
DAN-MCD-0c04f563-1
0.222
NIM-UNI-310206f0-13
0.221
TRI-UNI-97428359-2
0.221
WAR-XCH-b72a1bbc-23
0.221
WAR-XCH-b72a1bbc-14
0.220
WAR-XCH-b72a1bbc-9
0.220
WAR-XCH-b6889685-5
0.219
WAR-XCH-b6889685-27
0.219
NIM-UNI-310206f0-34
0.219
MAT-POS-b5746674-58
0.218
MAK-UNK-7c9d1431-22
0.218
MAK-UNK-de8f6d00-3
0.218
SAD-SAT-2ceae68f-5
0.218
SAD-SAT-29425be4-17
0.218
NIM-UNI-310206f0-27
0.217
WAR-XCH-b6889685-20
0.217
MAR-TRE-3e4e6814-38
0.217
WAR-XCH-b6889685-33
0.216
MAK-UNK-7c9d1431-19
0.216
WAR-XCH-b6889685-10
0.216
SAD-SAT-2fd372d1-10
0.216
JAR-KUA-8c13982c-15
0.215
WAR-XCH-b72a1bbc-39
0.215
NIM-UNI-310206f0-38
0.214
JOH-MEM-5e386bbd-1
0.214
WAR-XCH-b6889685-16
0.214
WAR-XCH-b6889685-28
0.214
WAR-XCH-b6889685-53
0.214
MAR-TRE-c8530538-93
0.213
SAD-SAT-b55127ae-2
0.213
NIM-UNI-310206f0-20
0.213
WAR-XCH-b6889685-55
0.213
BRU-UNI-248b30bc-29
0.213