Molecular Properties | |
SMILES: | N#Cc1ncc(N2CCCOCC2)cc1F |
MW: | 221.235 |
Fraction sp3: | 0.45 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 49.15 |
cLogP: | 1.31908 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-19
JOH-UNI-9dc98897-6
0.672
JOH-UNI-9dc98897-4
0.656
JOH-UNI-9dc98897-2
0.645
JOH-UNI-abdb2f0c-4
0.582
AAR-POS-d2a4d1df-19
0.516
JOH-UNI-9dc98897-3
0.485
JOH-UNI-abdb2f0c-2
0.476
JOH-UNI-9dc98897-7
0.443
JOH-UNI-9dc98897-8
0.429
JOH-UNI-9dc98897-9
0.406
JOH-UNI-9dc98897-10
0.389
JOH-UNI-abdb2f0c-3
0.389
JOH-UNI-9dc98897-5
0.389
JOH-UNI-522b0723-10
0.375
JOH-UNI-abdb2f0c-1
0.349
PET-SGC-6016d8e6-1
0.322
MAK-UNK-9955b1f3-14
0.313
NIM-UNI-310206f0-7
0.266
JOH-UNI-522b0723-11
0.258
WIL-NOV-649f4ed0-5
0.241
JOH-UNI-522b0723-1
0.240
JOR-UNI-61e7b1d5-10
0.238
BAR-COM-0f94fc3d-33
0.237
JOH-UNI-522b0723-9
0.237
MAR-TRE-6c5ef77a-38
0.236
WIL-NOV-649f4ed0-1
0.236
JOH-UNI-522b0723-12
0.234
JOH-UNI-27ac80fd-17
0.233
JOH-UNI-27ac80fd-16
0.233
JOH-UNI-27ac80fd-22
0.233
JOH-UNI-27ac80fd-15
0.233
MAR-TRE-f5c2d31c-13
0.230
LYN-UNI-7bb260d6-10
0.227
LYN-UNI-0d9431a4-3
0.227
WIL-NOV-649f4ed0-2
0.227
LON-WEI-1908424e-3
0.226
BAR-COM-0f94fc3d-2
0.226
MAR-TRE-f5c2d31c-27
0.224
JOR-UNI-2fc98d0b-9
0.223
JOH-UNI-27ac80fd-12
0.222
JOR-UNI-61e7b1d5-11
0.221
JOH-UNI-522b0723-8
0.221
JOH-UNI-522b0723-6
0.221
MAR-TRE-f5c2d31c-70
0.220
MAR-TRE-fd17a9b8-49
0.220
BAR-COM-4e090d3a-58
0.220
MAR-TRE-6c5ef77a-83
0.220
MAR-TRE-f5c2d31c-38
0.219
MAR-TRE-f5c2d31c-81
0.219
MAK-UNK-9955b1f3-2
0.214
MAR-TRE-f5c2d31c-85
0.214
LYN-UNI-b265e4fd-4
0.213
JOH-UNI-27ac80fd-18
0.213
MAR-TRE-a3327163-98
0.213
MAR-TRE-f5c2d31c-52
0.212
MAK-UNK-9955b1f3-16
0.212
KEI-TRE-d5e2018a-9
0.211
MAR-TRE-f5c2d31c-36
0.210
MAR-TRE-f5c2d31c-20
0.210
MAR-TRE-6a44bbf2-67
0.210
MAR-TRE-f5c2d31c-8
0.208
MAR-TRE-f5c2d31c-43
0.208
RAL-THA-b00e3cbf-1
0.208
JOH-UNI-522b0723-13
0.206
MAR-TRE-f5c2d31c-35
0.206
JOH-UNI-522b0723-2
0.205
PET-SGC-cb83a00c-1
0.205
ASH-UNK-40b46b30-15
0.204
MAK-UNK-9955b1f3-15
0.203
MAR-TRE-f5c2d31c-28
0.200
MAR-TRE-f5c2d31c-74
0.200
MAR-TRE-9c797165-83
0.200
MAT-POS-ea426761-80
0.198
MAR-TRE-f5c2d31c-42
0.198
JOH-UNI-27ac80fd-14
0.198
MAR-TRE-f5c2d31c-96
0.196
MAR-TRE-f5c2d31c-7
0.196
NIR-WEI-dcc3321b-2
0.195
JOH-UNI-27ac80fd-13
0.195
MAK-UNK-9955b1f3-3
0.194
CHO-MSK-00c5269a-4
0.194
JOH-UNI-27ac80fd-19
0.194
MAR-TRE-f5c2d31c-54
0.194
KEI-TRE-d5e2018a-22
0.194
MAR-TRE-9c797165-69
0.193
MAR-TRE-f5c2d31c-83
0.192
SAD-SAT-f25ee457-3
0.192
JOH-UNI-522b0723-4
0.192
SAD-SAT-f25ee457-9
0.192
ALP-POS-a3de0cb1-11
0.191
MAK-UNK-be3f299e-7
0.190
AAR-RCN-78cf61f7-1
0.190
MAR-TRE-67513f76-86
0.190
EDJ-MED-487c5e9f-12
0.190
MAR-TRE-f5c2d31c-29
0.190
MAR-TRE-f5c2d31c-99
0.190
UNK-CYC-68f84b31-7
0.190
JOH-UNI-522b0723-3
0.190
MAR-TRE-f5c2d31c-25
0.189
MIH-UNI-e573136b-6
0.189