Molecular Properties | |
SMILES: | N#Cc1ncc(N2CCCOCC2)cc1C(F)(F)F |
MW: | 271.242 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 49.15 |
cLogP: | 2.19878 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-19
JOH-UNI-9dc98897-6
0.656
JOH-UNI-9dc98897-1
0.645
JOH-UNI-9dc98897-4
0.615
JOH-UNI-abdb2f0c-4
0.549
JOH-UNI-9dc98897-7
0.500
AAR-POS-d2a4d1df-19
0.485
JOH-UNI-abdb2f0c-2
0.453
JOH-UNI-9dc98897-3
0.397
JOH-UNI-9dc98897-8
0.387
JOH-UNI-9dc98897-10
0.387
JOH-UNI-abdb2f0c-3
0.368
JOH-UNI-522b0723-10
0.357
JOH-UNI-9dc98897-9
0.347
JOH-UNI-9dc98897-5
0.333
JOH-UNI-abdb2f0c-1
0.318
PET-SGC-6016d8e6-1
0.309
MAK-UNK-9955b1f3-14
0.296
LON-WEI-1908424e-3
0.289
JOH-UNI-27ac80fd-16
0.253
JOH-UNI-522b0723-11
0.247
WIL-NOV-649f4ed0-5
0.244
JOH-UNI-522b0723-1
0.244
BAR-COM-0f94fc3d-33
0.240
JOH-UNI-522b0723-12
0.237
JOH-UNI-27ac80fd-15
0.237
JOR-UNI-61e7b1d5-10
0.229
JOH-UNI-522b0723-9
0.227
JOR-UNI-61e7b1d5-11
0.224
BAR-COM-4e090d3a-58
0.223
JOH-UNI-27ac80fd-22
0.221
JOH-UNI-27ac80fd-17
0.221
UNK-CYC-68f84b31-7
0.218
WIL-NOV-649f4ed0-2
0.217
MAR-TRE-f5c2d31c-20
0.214
MAR-TRE-f5c2d31c-18
0.214
MAR-TRE-f5c2d31c-36
0.214
WIL-NOV-649f4ed0-1
0.213
JOH-UNI-522b0723-8
0.212
JOH-UNI-27ac80fd-12
0.211
MAR-TRE-f5c2d31c-81
0.210
MAR-TRE-f5c2d31c-38
0.210
JOH-UNI-522b0723-6
0.210
JOH-UNI-522b0723-2
0.210
MAR-TRE-f5c2d31c-13
0.210
MAR-TRE-f5c2d31c-35
0.210
NIM-UNI-310206f0-7
0.209
MAR-TRE-6c5ef77a-38
0.208
MAR-TRE-f5c2d31c-85
0.206
MAR-TRE-9c797165-83
0.205
LYN-UNI-0d9431a4-3
0.204
LYN-UNI-7bb260d6-10
0.204
LYN-UNI-b265e4fd-4
0.204
BAR-COM-0f94fc3d-2
0.204
MAR-TRE-f5c2d31c-74
0.204
JOR-UNI-2fc98d0b-9
0.204
MAK-UNK-9955b1f3-2
0.203
JOH-UNI-27ac80fd-18
0.203
JOH-UNI-27ac80fd-20
0.203
MAK-UNK-9955b1f3-16
0.202
MAR-TRE-f5c2d31c-42
0.202
MAR-TRE-fd17a9b8-49
0.200
MAR-TRE-f5c2d31c-96
0.200
AUS-WAB-916db9c0-2
0.200
MAR-TRE-6a44bbf2-67
0.200
AAR-RCN-28a8122f-1
0.200
MAK-UNK-9955b1f3-3
0.200
MAR-TRE-f5c2d31c-70
0.200
ABI-SAT-ddc50085-4
0.200
CHO-MSK-00c5269a-4
0.198
JOH-UNI-522b0723-13
0.198
ASH-UNK-40b46b30-15
0.196
MAR-TRE-f5c2d31c-63
0.196
MAR-TRE-f5c2d31c-83
0.196
SAD-SAT-f25ee457-3
0.196
SAD-SAT-f25ee457-9
0.196
PET-SGC-cb83a00c-1
0.195
MAR-TRE-6c5ef77a-83
0.195
AAR-RCN-78cf61f7-1
0.195
ALP-POS-a3de0cb1-11
0.195
MAR-TRE-f5c2d31c-99
0.194
MIH-UNI-e573136b-6
0.194
UNK-CYC-68f84b31-67
0.193
MAK-UNK-9955b1f3-15
0.193
SAD-SAT-24589cd1-6
0.192
MAR-TRE-f5c2d31c-52
0.192
MAR-TRE-f5c2d31c-12
0.190
JOH-UNI-27ac80fd-14
0.188
MAR-TRE-f5c2d31c-8
0.188
MAR-TRE-fd17a9b8-85
0.188
MAR-TRE-f5c2d31c-43
0.188
MAR-TRE-fd17a9b8-97
0.187
JOH-UNI-27ac80fd-13
0.186
PET-SGC-276eba5a-1
0.185
UNK-UNK-2ede4078-76
0.185
MAK-UNK-9955b1f3-4
0.185
ABI-SAT-a53b70f8-1
0.184
JOH-UNI-27ac80fd-19
0.184
MAR-TRE-9c797165-69
0.184
EDJ-MED-343bb62d-4
0.183
MAR-TRE-f5c2d31c-9
0.183