Molecular Properties | |
SMILES: | N#Cc1ccc(N2CCCOCC2)c(C(F)(F)F)n1 |
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-9dc98897-9
0.597
JOH-UNI-9dc98897-5
0.594
JOH-UNI-9dc98897-7
0.515
JOH-UNI-9dc98897-3
0.493
JOH-UNI-9dc98897-8
0.457
AAR-POS-d2a4d1df-19
0.433
JOH-UNI-9dc98897-1
0.389
JOH-UNI-9dc98897-2
0.387
JOH-UNI-9dc98897-4
0.355
JOH-UNI-9dc98897-6
0.338
JOH-UNI-abdb2f0c-4
0.317
MAK-UNK-9955b1f3-14
0.304
JOH-UNI-27ac80fd-15
0.278
JOH-UNI-abdb2f0c-3
0.275
JOH-UNI-abdb2f0c-2
0.268
MAR-TRE-6c5ef77a-38
0.264
JOH-UNI-27ac80fd-16
0.260
MAR-TRE-6c5ef77a-83
0.244
JOH-UNI-abdb2f0c-1
0.239
LON-WEI-1908424e-3
0.235
JOH-UNI-522b0723-1
0.234
JOH-UNI-27ac80fd-12
0.233
JOH-UNI-27ac80fd-17
0.227
JOH-UNI-27ac80fd-22
0.227
PET-SGC-6016d8e6-1
0.222
WIL-NOV-649f4ed0-5
0.222
ABI-SAT-aa268ad7-6
0.219
MAR-TRE-f5c2d31c-8
0.216
AUS-WAB-916db9c0-2
0.216
MAR-TRE-f5c2d31c-43
0.216
JOH-UNI-522b0723-2
0.215
JOR-UNI-61e7b1d5-10
0.211
UNK-CYC-68f84b31-7
0.210
JOH-UNI-27ac80fd-20
0.208
JOH-UNI-27ac80fd-18
0.208
JOH-UNI-27ac80fd-14
0.207
JOR-UNI-61e7b1d5-11
0.207
MAR-TRE-f5c2d31c-12
0.206
JOH-UNI-522b0723-10
0.204
DAR-DIA-0d514e7d-20
0.204
JOH-UNI-522b0723-6
0.200
ASH-UNK-40b46b30-15
0.200
MAR-TRE-f5c2d31c-25
0.198
MIH-UNI-e573136b-6
0.198
GIA-UNK-30c7cb75-5
0.198
MAK-UNK-9955b1f3-15
0.198
ABI-SAT-aa268ad7-5
0.197
MAR-TRE-f5c2d31c-27
0.196
MAR-TRE-a3327163-98
0.196
AAR-POS-d2a4d1df-21
0.195
MAR-TRE-0fda4e82-37
0.195
MAT-POS-ea426761-80
0.195
JAR-KUA-672ec752-1
0.194
MAK-UNK-9955b1f3-16
0.193
KAT-FAI-9b65c29e-2
0.192
JOH-UNI-27ac80fd-13
0.190
MAR-TRE-6a44bbf2-67
0.190
LUI-IND-2c46affe-2
0.190
MAR-TRE-f5c2d31c-34
0.189
JOH-UNI-27ac80fd-19
0.189
MAK-UNK-9955b1f3-3
0.189
SAD-SAT-f25ee457-3
0.189
JOH-UNI-27ac80fd-2
0.188
MAR-TRE-3724962b-20
0.187
PET-SGC-cb83a00c-1
0.186
JOH-UNI-522b0723-3
0.185
MAR-TRE-3159af1a-17
0.185
MAK-UNK-be3f299e-7
0.185
MAR-TRE-a3327163-41
0.184
DAR-DIA-8b715a25-12
0.184
MAK-UNK-9955b1f3-1
0.183
WIL-NOV-649f4ed0-2
0.183
MAR-TRE-f5c2d31c-20
0.183
MAR-TRE-dab8f6ea-25
0.183
JOH-UNI-27ac80fd-9
0.182
MAR-TRE-9c797165-83
0.182
JOH-UNI-27ac80fd-1
0.182
SCO-VAN-260d9628-4
0.182
ALP-POS-6d04362c-5
0.181
MAR-TRE-3159af1a-71
0.180
JOO-IND-3132366c-1
0.180
DAV-AUT-fa25ac7f-2
0.179
WIL-NOV-649f4ed0-1
0.179
MAR-TRE-f5c2d31c-38
0.178
MAR-TRE-dab8f6ea-18
0.178
MAR-TRE-3159af1a-88
0.178
MAR-TRE-2fd8122f-89
0.177
MAR-TRE-f5c2d31c-57
0.176
MAR-TRE-dab8f6ea-20
0.176
ALP-POS-bad7201a-6
0.176
DAR-DIA-8b715a25-16
0.176
MAK-UNK-9955b1f3-4
0.176
MAK-UNK-9955b1f3-2
0.176
SKY-OHS-b36f3c04-1
0.175
UNK-UNK-2ede4078-78
0.175
MAR-TRE-f5c2d31c-9
0.175
MAR-TRE-9c797165-69
0.174
MAR-TRE-a3327163-23
0.174
JUL-TUD-06b2044f-154
0.174
JOR-UNI-2fc98d0b-9
0.174