Molecular Properties | |
SMILES: | Cc1ccn2c(-c3ccnn3C)c(-c3ccc(F)cc3)nc2c1 |
MW: | 306.344 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 35.12 |
cLogP: | 3.84932 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
ALV-UNI-7ff1a6f9-20
0.603
ALV-UNI-7ff1a6f9-7
0.594
ALV-UNI-7ff1a6f9-18
0.592
ALV-UNI-7ff1a6f9-8
0.562
ALV-UNI-7ff1a6f9-40
0.556
ALV-UNI-7ff1a6f9-19
0.548
ALV-UNI-7ff1a6f9-13
0.547
ALV-UNI-7ff1a6f9-14
0.500
ALV-UNI-7ff1a6f9-16
0.494
ALV-UNI-7ff1a6f9-9
0.488
ALV-UNI-7ff1a6f9-15
0.488
ALV-UNI-7ff1a6f9-32
0.366
ALV-UNI-7ff1a6f9-24
0.353
ALV-UNI-7ff1a6f9-41
0.329
ALV-UNI-7ff1a6f9-37
0.325
ALV-UNI-7ff1a6f9-42
0.317
ALV-UNI-7ff1a6f9-38
0.310
ALV-UNI-7ff1a6f9-43
0.306
MAR-TRE-c8530538-87
0.277
ALV-UNI-7ff1a6f9-39
0.276
ALV-UNI-7ff1a6f9-3
0.271
ALV-UNI-7ff1a6f9-44
0.263
ALV-UNI-7ff1a6f9-28
0.253
ALV-UNI-7ff1a6f9-36
0.250
ALV-UNI-7ff1a6f9-4
0.250
ALV-UNI-7ff1a6f9-25
0.247
ALV-UNI-7ff1a6f9-33
0.244
ALV-UNI-7ff1a6f9-34
0.239
ALV-UNI-7ff1a6f9-2
0.239
ALV-UNI-7ff1a6f9-1
0.236
ALV-UNI-7ff1a6f9-26
0.234
ALV-UNI-7ff1a6f9-22
0.232
ALV-UNI-7ff1a6f9-10
0.231
MAT-POS-b5746674-121
0.228
ALV-UNI-7ff1a6f9-5
0.228
ALV-UNI-7ff1a6f9-30
0.227
ALV-UNI-7ff1a6f9-11
0.223
ALV-UNI-7ff1a6f9-31
0.222
ALV-UNI-7ff1a6f9-23
0.220
ALV-UNI-7ff1a6f9-35
0.217
ALV-UNI-7ff1a6f9-27
0.215
MAR-TRE-a3327163-85
0.214
MAR-TRE-c8530538-85
0.214
LON-WEI-ff7b210a-2
0.211
MAT-POS-e10a589d-3
0.211
ALV-UNI-7ff1a6f9-29
0.210
EDJ-MED-b24713dc-1
0.208
ALV-UNI-7ff1a6f9-6
0.206
ALV-UNI-7ff1a6f9-12
0.206
ALV-UNI-7ff1a6f9-21
0.206
KOV-VNK-5e1a909f-26
0.200
MAT-POS-51833a24-5
0.194
MAR-TRE-a3327163-93
0.194
LYN-UNI-b265e4fd-5
0.193
MAR-TRE-c8530538-67
0.192
DRV-DNY-3e405af9-5
0.192
WIL-UNI-d4749f31-28
0.192
MAR-TRE-3e4e6814-66
0.190
DRV-DNY-3e405af9-9
0.189
BEN-DND-93268d01-5
0.189
VID-DNY-1d288c6c-5
0.188
VID-DNY-1d288c6c-11
0.188
MAT-POS-1e0c1c67-1
0.187
KOV-VNK-5e1a909f-25
0.186
DRV-DNY-3e405af9-6
0.186
VID-DNY-1d288c6c-12
0.186
DAV-UNK-d94803a2-1
0.186
DRV-DNY-3e405af9-2
0.185
PAU-UNI-d269d79c-2
0.185
PAU-UNI-589039f7-1
0.185
KEI-TRE-fa9ada3e-16
0.185
MAT-POS-b5746674-126
0.184
DRV-DNY-3e405af9-1
0.184
KOV-VNK-5e1a909f-56
0.184
VLA-UNK-c3e99b7a-6
0.182
PET-UNK-5eca9d1d-1
0.182
BAR-COM-0f94fc3d-18
0.182
DRV-DNY-3e405af9-4
0.181
DAR-DIA-53551c05-3
0.181
WIL-UNI-d4749f31-30
0.180
LYN-UNI-b265e4fd-2
0.180
KEI-TRE-d5e2018a-62
0.179
FRA-BIO-8bf1eac9-1
0.179
DRV-DNY-3e405af9-3
0.179
WAR-XCH-bdd24732-11
0.178
DAR-DIA-53551c05-7
0.178
MAT-POS-b5746674-57
0.177
VID-DNY-1d288c6c-10
0.176
MAT-POS-b5746674-127
0.176
VID-DNY-1d288c6c-9
0.175
MAT-POS-f42f3716-7
0.174
MAR-TRE-f6f5f473-17
0.174
DAV-UNK-d94803a2-2
0.174
MAR-TRE-74c6519b-30
0.174
JAR-KUA-41bd5a3d-17
0.173
DAN-RED-da448e80-5
0.172
WIL-UNI-d4749f31-15
0.171
DAR-DIA-0d514e7d-13
0.171
AAR-UNI-c25c2f1e-94
0.170
DRA-CSI-3ab97369-9
0.170