Molecular Properties | |
SMILES: | Cc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2c1 |
MW: | 303.34 |
Fraction sp3: | 0.05 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 30.19 |
cLogP: | 4.51082 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
ALV-UNI-7ff1a6f9-2
0.529
ALV-UNI-7ff1a6f9-10
0.507
ALV-UNI-7ff1a6f9-11
0.378
ALV-UNI-7ff1a6f9-26
0.373
ALV-UNI-7ff1a6f9-5
0.354
ALV-UNI-7ff1a6f9-28
0.349
ALV-UNI-7ff1a6f9-34
0.349
ALV-UNI-7ff1a6f9-25
0.346
ALV-UNI-7ff1a6f9-24
0.345
ALV-UNI-7ff1a6f9-42
0.342
ALV-UNI-7ff1a6f9-33
0.341
ALV-UNI-7ff1a6f9-27
0.337
ALV-UNI-7ff1a6f9-7
0.333
ALV-UNI-7ff1a6f9-35
0.325
ALV-UNI-7ff1a6f9-32
0.325
ALV-UNI-7ff1a6f9-3
0.325
ALV-UNI-7ff1a6f9-22
0.319
ALV-UNI-7ff1a6f9-23
0.319
ALV-UNI-7ff1a6f9-36
0.317
ALV-UNI-7ff1a6f9-37
0.317
ALV-UNI-7ff1a6f9-12
0.315
ALV-UNI-7ff1a6f9-21
0.315
ALV-UNI-7ff1a6f9-30
0.300
ALV-UNI-7ff1a6f9-29
0.293
ALV-UNI-7ff1a6f9-31
0.293
ALV-UNI-7ff1a6f9-6
0.287
ALV-UNI-7ff1a6f9-4
0.271
ALV-UNI-7ff1a6f9-43
0.253
MAT-POS-b5746674-121
0.247
ALV-UNI-7ff1a6f9-8
0.244
DRV-DNY-3e405af9-6
0.240
ALV-UNI-7ff1a6f9-13
0.239
ALV-UNI-7ff1a6f9-17
0.236
MAR-TRE-a3327163-85
0.235
ALV-UNI-7ff1a6f9-18
0.233
ALV-UNI-7ff1a6f9-38
0.231
ALV-UNI-7ff1a6f9-20
0.230
ALV-UNI-7ff1a6f9-40
0.222
ALV-UNI-7ff1a6f9-19
0.220
ALV-UNI-7ff1a6f9-41
0.220
ALV-UNI-7ff1a6f9-15
0.212
ALV-UNI-7ff1a6f9-9
0.206
ALV-UNI-7ff1a6f9-44
0.206
ALV-UNI-7ff1a6f9-14
0.204
ALV-UNI-7ff1a6f9-16
0.202
WAR-XCH-b72a1bbc-2
0.200
MAK-UNK-9e4a73aa-34
0.198
MAT-POS-b5746674-57
0.197
ALV-UNI-7ff1a6f9-39
0.194
MAK-UNK-9e4a73aa-19
0.191
MAR-TRE-1c920f6f-39
0.191
CAS-DEP-751a2458-6
0.190
MAR-TRE-b77b7921-21
0.189
MAR-TRE-74c6519b-30
0.189
MAR-TRE-f6f5f473-17
0.189
MAR-TRE-04c86cea-73
0.187
MAR-TRE-b77b7921-76
0.184
MAK-UNK-9e4a73aa-35
0.182
MAR-TRE-1c920f6f-79
0.181
MAT-POS-162a9720-10
0.181
BEN-DND-93268d01-5
0.180
DRV-DNY-3e405af9-2
0.178
MAR-TRE-d0525fbf-70
0.177
LON-WEI-9739a092-4
0.177
MAR-TRE-4b834d9a-18
0.176
MAT-POS-e10a589d-3
0.176
LON-WEI-ff7b210a-2
0.176
DAN-RED-da448e80-5
0.175
DRV-DNY-3e405af9-1
0.175
WIL-UNI-d4749f31-15
0.175
MAR-TRE-66ac689e-58
0.174
NAU-LAT-ec9c7557-2
0.174
MAT-POS-b5746674-91
0.174
MAK-UNK-9e4a73aa-29
0.173
CHR-GRO-51f79798-4
0.173
DRV-DNY-3e405af9-4
0.173
DRV-DNY-3e405af9-5
0.173
MAR-TRE-d0525fbf-1
0.173
AUS-ARG-7cfdce8f-6
0.172
MAR-TRE-f6f5f473-86
0.172
KEI-TRE-d5e2018a-62
0.171
LYN-UNI-b265e4fd-2
0.170
MAR-TRE-66ac689e-94
0.170
MAR-TRE-3e4e6814-66
0.170
WIL-UNI-1faa9b10-53
0.170
MAR-TRE-67513f76-11
0.170
MAR-TRE-74c6519b-67
0.170
MAR-TRE-74c6519b-82
0.170
MAR-TRE-7f7bb9f0-93
0.170
MAR-TRE-04c86cea-15
0.170
BOG-INS-84cddf90-1
0.170
MAR-TRE-b77b7921-31
0.170
LOR-NOR-30067bb9-7
0.168
DAR-DIA-0cde14eb-67
0.168
VID-DNY-1d288c6c-10
0.168
MAR-TRE-4b834d9a-14
0.168
MAT-POS-ea426761-86
0.168
MAR-TRE-f5c2d31c-4
0.168
MAR-TRE-b77b7921-7
0.168
MAR-TRE-04c86cea-75
0.168