Molecular Properties | |
SMILES: | COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)NC(=O)C(C)S4)CC2)cc1 |
MW: | 489.14 |
Fraction sp3: | 0.39 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 96.02 |
cLogP: | 2.64 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2194663833 |
MolPort: | MolPort-007-735-689 |
p-Alkoxy-N,N-dialkyl anilines
anil_di_alk_C(246)
MAR-LAB-ff9967db-32
0.673
MAR-TRE-b77b7921-17
0.462
AAR-POS-0daf6b7e-18
0.419
MAR-LAB-ff9967db-9
0.369
MAT-POS-b5746674-53
0.364
MAR-TRE-04c86cea-7
0.331
KRI-MAR-d2e3ef86-13
0.318
BEN-DND-7e92b6ca-11
0.318
MAK-UNK-7c9d1431-17
0.283
MAT-POS-162a9720-4
0.280
NIM-UNI-310206f0-11
0.276
NIM-UNI-310206f0-48
0.276
YOI-UNK-090ea88a-1
0.273
MAT-POS-162a9720-5
0.268
MAK-UNK-acefcb18-20
0.267
LAV-MCD-880a620a-1
0.265
ANT-STE-dbb91f63-1
0.252
NIM-UNI-310206f0-33
0.252
NIM-UNI-310206f0-19
0.250
PEI-IMP-668afc53-1
0.248
NIM-UNI-310206f0-45
0.244
WAR-XCH-b6889685-15
0.243
WAR-XCH-b72a1bbc-23
0.242
MAR-TRE-fd17a9b8-97
0.242
WAR-XCH-b6889685-19
0.241
MAR-TRE-6a44bbf2-45
0.241
MAK-UNK-7c9d1431-30
0.241
NIM-UNI-310206f0-14
0.240
NIM-UNI-05f93fcc-15
0.239
WAR-XCH-b6889685-20
0.238
PEI-IMP-668afc53-2
0.235
BRU-UNI-248b30bc-10
0.234
MAT-POS-590ac91e-65
0.234
MAR-TRE-6a44bbf2-77
0.233
SAD-SAT-65574d3f-9
0.232
WAR-XCH-b6889685-16
0.232
SAD-SAT-89668ff1-6
0.232
PEI-IMP-ca0b2813-3
0.231
JOH-UNK-14e6adc5-7
0.231
NIM-UNI-310206f0-58
0.231
MAT-POS-162a9720-2
0.231
NIL-NON-a189c016-1
0.231
MAK-UNK-3f402c2b-27
0.231
WAR-XCH-b6889685-23
0.230
SAD-SAT-5b1897b2-4
0.230
WAR-XCH-b72a1bbc-9
0.229
BRU-UNI-418e22dc-7
0.229
TRI-UNI-97428359-2
0.229
DAR-DIA-fb20be43-18
0.228
MAK-UNK-7c9d1431-22
0.226
GIA-UNK-4de5abb1-5
0.225
MAR-TRE-7f7bb9f0-58
0.225
WAR-XCH-b6889685-33
0.224
MAK-UNK-7c9d1431-19
0.224
WAR-XCH-b6889685-18
0.223
TRI-UNI-97428359-3
0.223
NIM-UNI-310206f0-28
0.222
WAR-XCH-b6889685-17
0.221
WAR-XCH-b6889685-28
0.221
ALP-POS-c0c213c9-2
0.221
MAR-TRE-c8530538-93
0.220
WAR-XCH-b6889685-54
0.220
DAN-MCD-0c04f563-1
0.220
WAR-XCH-b72a1bbc-45
0.219
WAR-XCH-72a8c209-3
0.219
NIM-UNI-310206f0-9
0.219
WAR-XCH-b6889685-29
0.219
KOV-VNK-5e1a909f-45
0.219
NIM-UNI-310206f0-13
0.218
NIM-UNI-310206f0-25
0.217
WAR-XCH-b72a1bbc-14
0.216
DRR-IMP-38dce17f-8
0.216
WAR-XCH-b6889685-22
0.216
WAR-XCH-b6889685-27
0.216
ANT-OPE-7824651a-1
0.216
NIM-UNI-310206f0-34
0.216
MAK-UNK-de8f6d00-3
0.215
WAR-XCH-b6889685-26
0.215
MAK-UNK-ec98eaf6-57
0.215
BEN-DND-7e92b6ca-12
0.215
MAR-UCB-f313ec4d-5
0.215
WAR-XCH-b6889685-48
0.214
WAR-XCH-b6889685-21
0.214
NIM-UNI-310206f0-27
0.214
NIM-UNI-310206f0-52
0.214
DAV-UNK-07f953a2-2
0.214
NIM-UNI-310206f0-55
0.214
AAR-UNI-c25c2f1e-47
0.214
WAR-XCH-b72a1bbc-15
0.214
JIA-UNI-93b03cae-1
0.214
MAT-POS-b5746674-56
0.214
MAK-UNK-69bf97dd-5
0.213
NIM-UNI-310206f0-7
0.213
AAR-POS-f650c5f2-1
0.213
AAR-POS-5507155c-1
0.213
WAR-XCH-b72a1bbc-39
0.212
WAR-XCH-b72a1bbc-12
0.212
WAR-XCH-b72a1bbc-16
0.212
WAR-XCH-b6889685-30
0.211
WAR-XCH-b6889685-32
0.211