Molecular Properties | |
SMILES: | N#Cc1ncc(N2CCCOCC2)cc1-c1ncco1 |
MW: | 270.292 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 75.18 |
cLogP: | 1.83498 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
JOH-UNI-9dc98897-6
0.591
JOH-UNI-9dc98897-1
0.582
JOH-UNI-9dc98897-4
0.557
JOH-UNI-9dc98897-2
0.549
AAR-POS-d2a4d1df-19
0.457
JOH-UNI-abdb2f0c-2
0.449
JOH-UNI-9dc98897-7
0.362
JOH-UNI-9dc98897-3
0.359
JOH-UNI-522b0723-10
0.356
JOH-UNI-abdb2f0c-3
0.350
JOH-UNI-9dc98897-8
0.350
JOH-UNI-9dc98897-9
0.329
JOH-UNI-abdb2f0c-1
0.319
JOH-UNI-9dc98897-10
0.317
JOH-UNI-9dc98897-5
0.301
PET-SGC-6016d8e6-1
0.296
MAK-UNK-9955b1f3-14
0.280
BAR-COM-0f94fc3d-33
0.255
JOH-UNI-522b0723-11
0.250
JOH-UNI-522b0723-9
0.242
JOH-UNI-522b0723-12
0.240
WIL-NOV-649f4ed0-5
0.234
JOH-UNI-522b0723-1
0.232
PET-SGC-cb83a00c-1
0.227
BAR-COM-4e090d3a-58
0.227
JOH-UNI-27ac80fd-17
0.225
GIA-UNK-30c7cb75-5
0.225
SAD-SAT-f25ee457-3
0.222
JOR-UNI-61e7b1d5-10
0.221
WIL-NOV-649f4ed0-2
0.221
JOR-UNI-61e7b1d5-11
0.217
JOH-UNI-522b0723-8
0.216
JOH-UNI-522b0723-13
0.214
SAD-SAT-f25ee457-9
0.212
JOH-UNI-27ac80fd-15
0.210
AAR-POS-d2a4d1df-21
0.209
MAK-UNK-9955b1f3-2
0.208
MAR-TRE-dab8f6ea-33
0.208
DAR-DIA-fb20be43-17
0.208
NIM-UNI-05f93fcc-9
0.206
MAR-TRE-6a44bbf2-67
0.205
WIL-NOV-649f4ed0-1
0.204
MAR-TRE-f5c2d31c-96
0.204
MAR-TRE-f5c2d31c-81
0.202
MAR-TRE-f5c2d31c-13
0.202
MAR-TRE-f5c2d31c-35
0.202
JOH-UNI-27ac80fd-12
0.200
PET-SGC-276eba5a-1
0.200
ASH-UNK-40b46b30-15
0.200
JOH-UNI-522b0723-2
0.200
NIM-UNI-310206f0-7
0.200
MAR-TRE-dab8f6ea-42
0.198
GIA-UNK-30c7cb75-2
0.198
MAR-TRE-6c5ef77a-38
0.198
MAR-TRE-f5c2d31c-22
0.196
MAR-TRE-f5c2d31c-74
0.196
WIL-LEE-1f71e281-1
0.196
LYN-UNI-0d9431a4-3
0.196
LYN-UNI-b265e4fd-4
0.196
LYN-UNI-7bb260d6-10
0.196
GIA-UNK-3f36037a-6
0.195
JOH-UNI-27ac80fd-16
0.195
JOH-UNI-27ac80fd-22
0.195
JOR-UNI-61e7b1d5-4
0.195
MAR-TRE-f5c2d31c-36
0.194
MAR-TRE-f5c2d31c-42
0.194
SCO-VAN-260d9628-4
0.194
LON-WEI-1908424e-3
0.194
MAK-UNK-9955b1f3-16
0.194
MAK-UNK-9955b1f3-1
0.194
JOH-UNI-27ac80fd-18
0.193
MAK-UNK-849bee6c-5
0.192
MAR-TRE-6a44bbf2-1
0.192
JOH-UNI-27ac80fd-13
0.191
MAR-TRE-f5c2d31c-19
0.190
MAR-TRE-f5c2d31c-38
0.190
JOH-UNI-27ac80fd-19
0.190
ALP-POS-8ed8d9ec-6
0.189
MAR-TRE-9c797165-69
0.189
MAR-TRE-f5c2d31c-85
0.188
TAM-UNI-d1c3dd9f-1
0.187
DAR-DIA-fb20be43-16
0.187
MAR-TRE-f5c2d31c-99
0.187
MAR-TRE-6c5ef77a-83
0.187
JUL-TUD-06b2044f-154
0.186
JOR-UNI-2fc98d0b-9
0.186
MAR-TRE-f5c2d31c-52
0.185
SAD-SAT-24589cd1-6
0.185
MAR-TRE-f5c2d31c-11
0.185
MAR-TRE-f5c2d31c-27
0.185
DAR-DIA-caba39e3-12
0.185
MAR-TRE-a3327163-98
0.184
BAR-COM-0f94fc3d-2
0.184
MAR-TRE-f5c2d31c-37
0.184
MAK-UNK-9955b1f3-15
0.184
MAR-TRE-dab8f6ea-25
0.183
MAR-TRE-f5c2d31c-20
0.183
MAR-TRE-f5c2d31c-18
0.183
ROB-UNI-b2e39629-12
0.183
JOR-UNI-61e7b1d5-3
0.183