Molecular Properties | |
SMILES: | N#CCN1CCN(c2ccc(C3NC(=O)c4ccccc43)cc2S(N)(=O)=O)CC1 |
MW: | 411.487 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 119.53 |
cLogP: | 0.81238 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (4)
N-C-Hal or cyano methyl
cyanamide
anil_di_alk_D(198)
DRV-UNK-64047f27-4
1.000
DRV-UNK-dd7f8c68-6
0.732
DRV-UNK-64047f27-1
0.732
DRV-UNK-64047f27-8
0.709
DRV-UNK-dd7f8c68-1
0.709
DRV-UNK-64047f27-5
0.679
DRV-UNK-dd7f8c68-4
0.679
DRV-UNK-dd7f8c68-3
0.675
DRV-UNK-64047f27-3
0.675
DRV-UNK-64047f27-2
0.667
DRV-UNK-dd7f8c68-2
0.667
DRV-UNK-dd7f8c68-8
0.663
DRV-UNK-64047f27-7
0.663
DRV-UNK-64047f27-6
0.600
DRV-UNK-dd7f8c68-9
0.600
DRV-UNK-64047f27-9
0.393
DRV-UNK-dd7f8c68-7
0.393
WAR-XCH-b6889685-11
0.234
MAR-TRE-0fda4e82-39
0.228
MAR-TRE-1c920f6f-48
0.225
WAR-XCH-b72a1bbc-22
0.217
MAT-POS-4e253971-1
0.216
DAV-CRI-3fe943ba-1
0.216
COM-UCB-1ef4e90e-15
0.215
COM-UCB-8c7d23dc-10
0.214
COM-UCB-1ef4e90e-7
0.214
NAU-LAT-28398581-5
0.214
MAR-TRE-0fda4e82-26
0.213
MAK-UNK-c74072e5-4
0.212
DAV-CRI-de95a6f4-2
0.211
COM-UCB-8c7d23dc-17
0.210
SAD-SAT-bc31ec01-10
0.205
WIL-NOV-649f4ed0-4
0.204
WIL-NOV-649f4ed0-2
0.204
DAV-CRI-3fe943ba-2
0.203
WAR-XCH-b6889685-29
0.202
COM-UCB-8c7d23dc-5
0.200
COM-UCB-8c7d23dc-4
0.200
STU-CHA-83dacf15-3
0.198
PED-UNI-89deb5c9-1
0.198
MAR-TRE-fffca54f-16
0.198
MAR-TRE-74c6519b-54
0.198
JAN-GHE-1d98ec1c-4
0.198
MIK-ENA-fe164c2a-1
0.197
JAR-IMP-ed466bb3-6
0.197
COM-UCB-1ef4e90e-14
0.197
NAU-LAT-28398581-3
0.197
MAR-TRE-fffca54f-38
0.196
MAR-TRE-1c920f6f-23
0.196
SAD-SAT-9a6c5cf3-3
0.195
NIR-THE-c331be7a-5
0.195
MIH-UNI-e573136b-12
0.195
TAM-UNI-d1c3dd9f-3
0.195
HEI-REL-0c990a45-2
0.194
WAR-XCH-b6889685-30
0.194
STU-CHA-09bcc2f6-1
0.193
MAK-UNK-0955449e-15
0.193
SAD-SAT-f2e2579e-4
0.193
WAR-XCH-b6889685-9
0.193
LOR-NOR-30067bb9-16
0.192
WAR-XCH-b72a1bbc-20
0.192
MAK-UNK-c74072e5-1
0.192
COM-UCB-8c7d23dc-11
0.192
TAM-UNI-d1c3dd9f-8
0.192
WAR-XCH-b72a1bbc-13
0.191
WAR-XCH-b6889685-45
0.190
WAR-XCH-b72a1bbc-19
0.190
HAR-NEW-e34cb1ae-2
0.190
DAV-CRI-de95a6f4-1
0.189
JAR-KUA-41bd5a3d-2
0.189
WAR-XCH-b6889685-22
0.189
WAR-XCH-b6889685-27
0.189
WAR-XCH-b6889685-44
0.189
EDG-MED-00af8776-1
0.188
EDG-MED-0c930815-1
0.188
EDG-MED-b6bce001-1
0.188
MAR-TRE-fffca54f-18
0.188
MED-COV-4280ac29-19
0.188
WAR-XCH-b6889685-8
0.188
HAR-NEW-e34cb1ae-8
0.187
WAR-XCH-b6889685-21
0.187
WAR-XCH-b6889685-63
0.187
WAR-XCH-b72a1bbc-21
0.186
WAR-XCH-b6889685-26
0.186
WAR-XCH-b72a1bbc-28
0.186
WIL-NOV-649f4ed0-3
0.186
NIM-UNI-05f93fcc-3
0.185
MAR-TRE-1c920f6f-76
0.185
WAR-XCH-b72a1bbc-34
0.185
WAR-XCH-b6889685-10
0.185
MAK-UNK-e4a48a85-15
0.185
COM-UCB-1ef4e90e-8
0.185
MAR-TRE-fffca54f-28
0.185
AAR-POS-d2a4d1df-37
0.184
WIL-NOV-066c4001-1
0.184
MAR-TRE-6a44bbf2-7
0.184
KRI-MAR-d2e3ef86-18
0.184
WAR-XCH-b6889685-33
0.184
JAR-IMP-ed466bb3-14
0.184
BEN-DND-f6031113-13
0.184