Molecular Properties | |
SMILES: | N#Cc1ncc(N2CCCOCC2)cc1C(F)F |
MW: | 253.252 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 49.15 |
cLogP: | 2.11758 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-19
JOH-UNI-9dc98897-1
0.656
JOH-UNI-9dc98897-6
0.639
JOH-UNI-9dc98897-2
0.615
JOH-UNI-abdb2f0c-4
0.557
JOH-UNI-9dc98897-8
0.493
AAR-POS-d2a4d1df-19
0.492
JOH-UNI-abdb2f0c-2
0.476
JOH-UNI-9dc98897-5
0.411
JOH-UNI-9dc98897-7
0.405
JOH-UNI-9dc98897-3
0.403
JOH-UNI-abdb2f0c-3
0.373
JOH-UNI-522b0723-10
0.361
JOH-UNI-9dc98897-10
0.355
JOH-UNI-9dc98897-9
0.351
JOH-UNI-abdb2f0c-1
0.337
MAK-UNK-9955b1f3-14
0.300
PET-SGC-6016d8e6-1
0.298
JOH-UNI-27ac80fd-22
0.257
JOH-UNI-522b0723-11
0.250
WIL-NOV-649f4ed0-5
0.247
JOR-UNI-61e7b1d5-11
0.237
WIL-NOV-649f4ed0-2
0.233
BAR-COM-0f94fc3d-2
0.232
JOR-UNI-61e7b1d5-10
0.231
JOH-UNI-522b0723-1
0.231
JOH-UNI-522b0723-9
0.229
BAR-COM-0f94fc3d-33
0.229
WIL-NOV-649f4ed0-1
0.228
JOH-UNI-522b0723-12
0.227
MAR-TRE-6c5ef77a-38
0.227
JOH-UNI-27ac80fd-17
0.224
JOH-UNI-27ac80fd-15
0.224
JOH-UNI-27ac80fd-16
0.224
ASH-UNK-40b46b30-15
0.220
LYN-UNI-7bb260d6-10
0.220
MAK-UNK-9955b1f3-16
0.218
MAR-TRE-f5c2d31c-74
0.218
JOR-UNI-2fc98d0b-9
0.217
MAR-TRE-6a44bbf2-67
0.217
JOH-UNI-522b0723-8
0.214
JOH-UNI-27ac80fd-12
0.213
BAR-COM-4e090d3a-58
0.213
MAR-TRE-f5c2d31c-81
0.212
AAR-RCN-78cf61f7-1
0.212
MAR-TRE-6c5ef77a-83
0.212
NIM-UNI-310206f0-7
0.212
MAR-TRE-f5c2d31c-13
0.212
MAK-UNK-9955b1f3-15
0.210
MAR-TRE-9c797165-83
0.207
LYN-UNI-b265e4fd-4
0.207
LYN-UNI-0d9431a4-3
0.207
MAK-UNK-9955b1f3-2
0.205
JOH-UNI-27ac80fd-18
0.205
LON-WEI-1908424e-3
0.205
MAR-TRE-f5c2d31c-36
0.204
MAR-TRE-f5c2d31c-96
0.202
MAR-TRE-9c797165-69
0.200
MAR-TRE-f5c2d31c-35
0.200
MAR-TRE-f5c2d31c-38
0.200
JOH-UNI-522b0723-13
0.200
SAD-SAT-f25ee457-3
0.198
MAR-TRE-67513f76-86
0.198
PET-SGC-cb83a00c-1
0.198
JOH-UNI-522b0723-6
0.198
JOH-UNI-522b0723-2
0.198
MAR-TRE-a3327163-41
0.195
MAR-TRE-2fd8122f-88
0.194
MAR-TRE-a3327163-98
0.194
ALP-POS-a3de0cb1-12
0.193
MAR-TRE-f5c2d31c-20
0.192
MAR-TRE-f5c2d31c-42
0.192
JOR-UNI-61e7b1d5-3
0.192
KEI-TRE-d5e2018a-9
0.192
RAL-THA-b00e3cbf-1
0.190
JOH-UNI-27ac80fd-14
0.190
MAR-TRE-fd17a9b8-49
0.190
MAR-TRE-f5c2d31c-70
0.190
CHO-MSK-00c5269a-4
0.189
MAR-TRE-4b834d9a-64
0.189
JOH-UNI-27ac80fd-13
0.188
MAR-TRE-9c797165-58
0.187
JOH-UNI-27ac80fd-19
0.187
MAK-UNK-9955b1f3-3
0.187
SAD-SAT-f25ee457-9
0.186
ALP-POS-8ed8d9ec-12
0.186
ALP-POS-a3de0cb1-11
0.186
JOR-UNI-61e7b1d5-17
0.186
MAR-TRE-dab8f6ea-34
0.186
MAR-TRE-f5c2d31c-85
0.185
MAR-TRE-f5c2d31c-99
0.184
UNK-CYC-68f84b31-7
0.184
MIH-UNI-e573136b-6
0.184
MAR-TRE-3159af1a-17
0.183
DAV-AUT-fa25ac7f-1
0.183
UNK-CYC-68f84b31-22
0.183
MAR-TRE-f5c2d31c-22
0.183
MAR-TRE-f5c2d31c-52
0.183
MAR-TRE-f5c2d31c-11
0.183
MAR-TRE-f5c2d31c-27
0.183
JOR-UNI-61e7b1d5-4
0.182