Molecular Properties | |
SMILES: | Cc1ccn2c(-c3ccncc3)c(-c3ccc(F)cc3)nc2c1 |
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-7ff1a6f9-8
0.672
ALV-UNI-7ff1a6f9-19
0.657
ALV-UNI-7ff1a6f9-13
0.652
ALV-UNI-7ff1a6f9-18
0.632
ALV-UNI-7ff1a6f9-20
0.597
ALV-UNI-7ff1a6f9-14
0.595
ALV-UNI-7ff1a6f9-17
0.594
ALV-UNI-7ff1a6f9-16
0.566
ALV-UNI-7ff1a6f9-37
0.521
ALV-UNI-7ff1a6f9-9
0.500
ALV-UNI-7ff1a6f9-15
0.500
ALV-UNI-7ff1a6f9-42
0.493
ALV-UNI-7ff1a6f9-38
0.349
ALV-UNI-7ff1a6f9-3
0.342
ALV-UNI-7ff1a6f9-40
0.341
ALV-UNI-7ff1a6f9-2
0.338
ALV-UNI-7ff1a6f9-1
0.333
ALV-UNI-7ff1a6f9-43
0.329
ALV-UNI-7ff1a6f9-10
0.325
ALV-UNI-7ff1a6f9-41
0.321
ALV-UNI-7ff1a6f9-4
0.301
ALV-UNI-7ff1a6f9-39
0.281
ALV-UNI-7ff1a6f9-34
0.258
ALV-UNI-7ff1a6f9-36
0.256
MAR-TRE-c8530538-87
0.255
ALV-UNI-7ff1a6f9-44
0.255
ALV-UNI-7ff1a6f9-26
0.253
ALV-UNI-7ff1a6f9-22
0.250
ALV-UNI-7ff1a6f9-5
0.247
ALV-UNI-7ff1a6f9-30
0.245
ALV-UNI-7ff1a6f9-28
0.244
ALV-UNI-7ff1a6f9-11
0.242
DRV-DNY-3e405af9-6
0.240
ALV-UNI-7ff1a6f9-35
0.236
ALV-UNI-7ff1a6f9-32
0.236
ALV-UNI-7ff1a6f9-27
0.233
ALV-UNI-7ff1a6f9-24
0.228
ALV-UNI-7ff1a6f9-31
0.227
ALV-UNI-7ff1a6f9-25
0.225
ALV-UNI-7ff1a6f9-23
0.224
ALV-UNI-7ff1a6f9-33
0.222
MAT-POS-b5746674-121
0.220
NAU-LAT-ec9c7557-2
0.217
ALV-UNI-7ff1a6f9-29
0.214
PET-UNK-5eca9d1d-1
0.211
ALV-UNI-7ff1a6f9-12
0.210
ALV-UNI-7ff1a6f9-21
0.210
ALV-UNI-7ff1a6f9-6
0.210
MAR-TRE-c8530538-85
0.206
MAR-TRE-a3327163-85
0.205
AGN-NEW-63f62ae9-2
0.204
LON-WEI-ff7b210a-2
0.202
MAT-POS-e10a589d-3
0.202
EDJ-MED-b24713dc-1
0.200
BAR-COM-0f94fc3d-18
0.198
MAT-POS-b5746674-57
0.197
VLA-UNK-c3e99b7a-6
0.195
DAR-DIA-0d514e7d-13
0.195
MAR-TRE-3e4e6814-66
0.194
KOV-VNK-5e1a909f-26
0.193
BEN-DND-93268d01-5
0.193
PET-UNK-94460c07-3
0.191
NIM-UNI-310206f0-1
0.191
KOV-VNK-5e1a909f-25
0.190
WAR-XCH-bdd24732-17
0.189
DAR-DIA-5d6f1b43-15
0.189
RED-RED-10c9212c-6
0.188
KOV-VNK-5e1a909f-56
0.188
MAR-TRE-c8530538-11
0.184
DRV-DNY-3e405af9-5
0.184
WIL-UNI-d4749f31-28
0.184
WAR-XCH-b72a1bbc-2
0.183
FRA-BIO-8bf1eac9-1
0.183
RAL-THA-901e9a10-2
0.183
KEI-TRE-d5e2018a-62
0.183
WAR-XCH-bdd24732-11
0.182
DAR-DIA-53551c05-7
0.181
VID-DNY-1d288c6c-5
0.180
PET-UNK-94460c07-4
0.180
MAT-POS-f42f3716-4
0.179
VID-DNY-1d288c6c-11
0.179
ALP-POS-95b75b4d-14
0.179
VID-DNY-1d288c6c-12
0.178
KEI-TRE-fa9ada3e-16
0.178
DAR-DIA-5d6f1b43-8
0.176
UNK-UNK-2ede4078-15
0.176
CAS-DEP-751a2458-6
0.176
ALP-POS-c0c213c9-2
0.176
MAT-POS-51833a24-5
0.176
DAN-RED-da448e80-5
0.175
DRV-DNY-3e405af9-1
0.175
KIM-UNI-60f168f5-2
0.175
MAR-TRE-66ac689e-58
0.174
MED-UNK-28939ac5-4
0.174
CAS-DEP-167c18e3-3
0.174
DAR-DIA-53551c05-3
0.173
DRA-CSI-3ab97369-9
0.173
MAT-POS-fa06b69f-3
0.172
MAR-TRE-a3327163-93
0.172
TAT-ENA-80bfd3e5-4
0.172