Molecular Properties | |
SMILES: | N#Cc1ccc(N2CCCOCC2)c(C(F)F)n1 |
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-9dc98897-9
0.597
JOH-UNI-9dc98897-10
0.594
JOH-UNI-9dc98897-8
0.500
JOH-UNI-9dc98897-3
0.493
JOH-UNI-9dc98897-7
0.451
AAR-POS-d2a4d1df-19
0.433
JOH-UNI-9dc98897-4
0.411
JOH-UNI-9dc98897-1
0.389
JOH-UNI-9dc98897-6
0.338
JOH-UNI-9dc98897-2
0.333
MAK-UNK-9955b1f3-14
0.304
JOH-UNI-abdb2f0c-4
0.301
JOH-UNI-abdb2f0c-3
0.275
JOH-UNI-abdb2f0c-2
0.268
JOH-UNI-27ac80fd-15
0.260
JOH-UNI-27ac80fd-22
0.260
MAR-TRE-6c5ef77a-38
0.247
JOH-UNI-abdb2f0c-1
0.239
PET-SGC-6016d8e6-1
0.235
JOH-UNI-522b0723-1
0.234
JOH-UNI-27ac80fd-12
0.233
MAR-TRE-6c5ef77a-83
0.229
JOH-UNI-27ac80fd-16
0.227
JOH-UNI-27ac80fd-17
0.227
JOH-UNI-522b0723-10
0.217
ASH-UNK-40b46b30-15
0.211
JOR-UNI-61e7b1d5-10
0.211
MIH-UNI-e573136b-6
0.211
JOH-UNI-27ac80fd-18
0.208
JOR-UNI-61e7b1d5-11
0.207
MAR-TRE-6a44bbf2-67
0.205
MAR-TRE-f5c2d31c-43
0.204
MAR-TRE-f5c2d31c-8
0.204
JOH-UNI-522b0723-2
0.200
JOH-UNI-522b0723-6
0.200
ALP-POS-8ed8d9ec-12
0.198
MAR-TRE-f5c2d31c-25
0.198
MAR-TRE-3159af1a-17
0.198
ABI-SAT-aa268ad7-5
0.197
MAR-TRE-f5c2d31c-27
0.196
WIL-NOV-649f4ed0-5
0.196
AAR-POS-d2a4d1df-21
0.195
MAR-TRE-dab8f6ea-25
0.194
MAK-UNK-9955b1f3-1
0.193
LON-WEI-1908424e-3
0.193
MAK-UNK-9955b1f3-16
0.193
DAR-DIA-0d514e7d-20
0.193
JOH-UNI-27ac80fd-14
0.193
AUS-WAB-916db9c0-2
0.192
JOO-IND-3132366c-1
0.192
MAK-UNK-9955b1f3-2
0.192
JOH-UNI-27ac80fd-13
0.190
LUI-IND-2c46affe-2
0.190
MAR-TRE-f5c2d31c-34
0.189
MAK-UNK-9955b1f3-3
0.189
JOH-UNI-27ac80fd-19
0.189
SAD-SAT-f25ee457-3
0.189
MAR-TRE-9c797165-69
0.188
UNK-UNK-2ede4078-78
0.188
ABI-SAT-aa268ad7-6
0.187
MAR-TRE-67513f76-86
0.186
PET-SGC-cb83a00c-1
0.186
JUL-TUD-06b2044f-154
0.185
JOH-UNI-522b0723-3
0.185
MAR-TRE-f5c2d31c-66
0.184
MAR-TRE-a3327163-41
0.184
GIA-UNK-30c7cb75-5
0.184
MAR-TRE-a3327163-98
0.184
DAR-DIA-8b715a25-12
0.184
MAK-UNK-9955b1f3-15
0.183
WIL-LEE-1f71e281-1
0.183
WIL-NOV-649f4ed0-2
0.183
ROB-UNI-b2e39629-12
0.183
MAR-TRE-9c797165-83
0.182
MAR-TRE-f5c2d31c-12
0.182
MAR-TRE-0fda4e82-37
0.181
MAR-TRE-3159af1a-71
0.180
MAR-TRE-fd17a9b8-97
0.179
MAR-TRE-dab8f6ea-12
0.179
MAR-TRE-3724962b-15
0.179
MAR-TRE-6a44bbf2-1
0.179
WIL-NOV-649f4ed0-1
0.179
MAR-TRE-f5c2d31c-38
0.178
MAR-TRE-3159af1a-28
0.178
SEA-TRI-f93fcab4-1
0.178
MAR-TRE-4b834d9a-64
0.178
MAR-TRE-f5c2d31c-33
0.178
MAR-TRE-f5c2d31c-83
0.178
PET-SGC-276eba5a-1
0.178
JOH-UNI-27ac80fd-20
0.177
MAR-TRE-2fd8122f-89
0.177
MAR-TRE-f5c2d31c-57
0.176
SAD-SAT-f25ee457-9
0.176
MAR-TRE-3724962b-20
0.176
DAR-DIA-8b715a25-16
0.176
MAR-TRE-9c797165-58
0.176
MAR-TRE-14ce9fd6-76
0.174
MAR-TRE-a3327163-23
0.174
JOR-UNI-2fc98d0b-9
0.174
MAT-POS-ea426761-80
0.174