Molecular Properties | |
SMILES: | O=C(Nc1nnc(-c2ccccn2)o1)C1CCN(C(=O)c2ccc(F)cc2)CC1 |
MW: | 395.394 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 101.22 |
cLogP: | 2.7616 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
DRA-CSI-7ec17797-6
0.805
DRA-CSI-7ec17797-18
0.659
DRA-CSI-0a78d9ba-13
0.570
DRA-CSI-7ec17797-10
0.417
GIA-UNK-995df016-16
0.379
DRA-CSI-13f611db-1
0.363
DRA-CSI-3ab97369-13
0.363
DRA-CSI-7ec17797-3
0.355
DRA-CSI-7ec17797-1
0.342
DRA-CSI-7ec17797-14
0.336
DRA-CSI-7ec17797-2
0.328
GIA-UNK-5ec6c2b8-1
0.321
DRA-CSI-7ec17797-15
0.320
DRA-CSI-7ec17797-9
0.316
DRA-CSI-7ec17797-12
0.314
DRA-CSI-7ec17797-13
0.314
GIA-UNK-995df016-10
0.308
DRA-CSI-7ec17797-16
0.307
DRR-IMP-db50bf6e-1
0.299
GIA-UNK-595fac82-2
0.293
MAK-UNK-a7992eb3-8
0.290
MAK-UNK-a7992eb3-9
0.278
MAR-TRE-7f7bb9f0-26
0.271
LON-WEI-120e5cf5-21
0.267
CLI-UNI-032f7715-3
0.267
JAG-SYN-9c2cd0bd-3
0.266
GIA-UNK-995df016-15
0.265
MAT-POS-ea426761-85
0.265
GIA-UNK-eaadd1d4-1
0.263
GIA-UNK-595fac82-3
0.263
JAG-SYN-9c2cd0bd-7
0.260
AAR-POS-fca48359-4
0.257
JAG-SYN-9c2cd0bd-4
0.255
LON-WEI-120e5cf5-19
0.255
LON-WEI-1908424e-11
0.254
LON-WEI-120e5cf5-15
0.253
MAR-TRE-6a44bbf2-86
0.253
MAK-UNK-c97f7c8f-1
0.253
DRA-CSI-47e38074-14
0.253
MAK-UNK-3d7e3904-2
0.252
BEN-DND-031a96cc-3
0.252
LON-WEI-b2874fec-6
0.252
JUL-TUD-06b2044f-58
0.252
LON-WEI-120e5cf5-11
0.250
LON-WEI-120e5cf5-20
0.250
MAK-UNK-c97f7c8f-2
0.248
RED-RED-10c9212c-1
0.248
JAG-SYN-9c2cd0bd-8
0.247
DRA-CSI-7ec17797-4
0.246
MAR-TRE-04c86cea-35
0.245
LON-WEI-120e5cf5-12
0.245
LON-WEI-120e5cf5-13
0.245
LON-WEI-120e5cf5-10
0.245
AAR-POS-0daf6b7e-6
0.245
MAR-TRE-6a44bbf2-15
0.245
LON-WEI-120e5cf5-2
0.243
MAK-UNK-a7992eb3-2
0.242
BEN-DND-031a96cc-1
0.241
BEN-DND-6de5dfa0-2
0.241
BEN-DND-09b88bf4-1
0.241
MAK-UNK-3d7e3904-3
0.240
AAR-POS-f650c5f2-4
0.240
AAR-POS-5507155c-2
0.240
LON-WEI-120e5cf5-17
0.240
LON-WEI-120e5cf5-1
0.240
DRA-CSI-7ec17797-17
0.240
LON-WEI-120e5cf5-16
0.240
ASH-SAT-43770c7d-7
0.240
LON-WEI-120e5cf5-9
0.239
BEN-DND-031a96cc-2
0.239
MAK-UNK-a7992eb3-7
0.239
BRU-UNI-248b30bc-1
0.238
BEN-DND-031a96cc-4
0.238
DRA-CSI-47e38074-13
0.238
ZAC-WAB-0847d168-1
0.237
DRV-DNY-3e405af9-4
0.237
LON-WEI-120e5cf5-7
0.237
MAR-TRE-fd17a9b8-6
0.236
LON-WEI-120e5cf5-4
0.236
SAD-SAT-f0a2747f-2
0.235
MAR-TRE-67513f76-53
0.234
DRA-CSI-3ab97369-9
0.233
SAD-SAT-b55127ae-6
0.232
DRA-CSI-0a78d9ba-1
0.232
LON-WEI-120e5cf5-14
0.229
MED-COV-4280ac29-17
0.229
UNK-CYC-68f84b31-1
0.228
CLI-UNI-032f7715-1
0.227
MAT-POS-ea426761-90
0.227
MAR-TRE-fd17a9b8-65
0.225
DRA-CSI-3ab97369-2
0.225
ALP-POS-c0ee8219-14
0.225
LUI-IND-a1be81af-3
0.224
AAR-POS-0daf6b7e-32
0.223
MAR-TRE-2fd8122f-19
0.223
JON-CHE-41f76505-2
0.223
DRA-CSI-0a78d9ba-5
0.223
DAR-DIA-0d514e7d-13
0.222
BEN-DND-76ad4ac9-4
0.222
SAD-SAT-89668ff1-2
0.222