Molecular Properties | |
SMILES: | Cc1ccn2c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1 |
MW: | 304.328 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 43.08 |
cLogP: | 3.90582 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
ALV-UNI-7ff1a6f9-38
0.672
ALV-UNI-7ff1a6f9-41
0.632
ALV-UNI-7ff1a6f9-40
0.594
ALV-UNI-7ff1a6f9-7
0.521
ALV-UNI-7ff1a6f9-39
0.500
ALV-UNI-7ff1a6f9-42
0.493
ALV-UNI-7ff1a6f9-13
0.373
ALV-UNI-7ff1a6f9-8
0.349
ALV-UNI-7ff1a6f9-2
0.338
ALV-UNI-7ff1a6f9-20
0.338
ALV-UNI-7ff1a6f9-19
0.337
ALV-UNI-7ff1a6f9-43
0.329
ALV-UNI-7ff1a6f9-14
0.326
ALV-UNI-7ff1a6f9-17
0.325
ALV-UNI-7ff1a6f9-18
0.321
ALV-UNI-7ff1a6f9-1
0.317
ALV-UNI-7ff1a6f9-10
0.310
ALV-UNI-7ff1a6f9-3
0.309
ALV-UNI-7ff1a6f9-16
0.308
ALV-UNI-7ff1a6f9-9
0.295
ALV-UNI-7ff1a6f9-15
0.290
ALV-UNI-7ff1a6f9-4
0.271
ALV-UNI-7ff1a6f9-44
0.255
ALV-UNI-7ff1a6f9-5
0.247
ALV-UNI-7ff1a6f9-34
0.244
ALV-UNI-7ff1a6f9-36
0.241
ALV-UNI-7ff1a6f9-35
0.236
ALV-UNI-7ff1a6f9-32
0.236
ALV-UNI-7ff1a6f9-30
0.232
ALV-UNI-7ff1a6f9-28
0.231
ALV-UNI-7ff1a6f9-11
0.228
ALV-UNI-7ff1a6f9-26
0.226
ALV-UNI-7ff1a6f9-22
0.224
ALV-UNI-7ff1a6f9-33
0.222
ALV-UNI-7ff1a6f9-27
0.220
ALV-UNI-7ff1a6f9-24
0.215
ALV-UNI-7ff1a6f9-31
0.214
DRV-DNY-3e405af9-6
0.214
ALV-UNI-7ff1a6f9-25
0.211
ALV-UNI-7ff1a6f9-6
0.210
MAT-POS-b5746674-121
0.207
MAR-TRE-a3327163-85
0.205
MAT-POS-e10a589d-3
0.202
LON-WEI-ff7b210a-2
0.202
ALV-UNI-7ff1a6f9-29
0.202
ALV-UNI-7ff1a6f9-23
0.200
ALV-UNI-7ff1a6f9-12
0.198
BEN-DND-93268d01-5
0.193
MAR-TRE-66ac689e-58
0.188
KOV-VNK-5e1a909f-56
0.188
ALV-UNI-7ff1a6f9-21
0.186
BAR-COM-0f94fc3d-18
0.186
VLA-UNK-c3e99b7a-6
0.185
MAR-TRE-a3327163-93
0.185
WAR-XCH-b72a1bbc-2
0.183
MAR-TRE-3e4e6814-66
0.182
KOV-VNK-5e1a909f-25
0.179
NIM-UNI-310206f0-1
0.178
DAR-DIA-5d6f1b43-15
0.178
WAR-XCH-bdd24732-17
0.177
RED-RED-10c9212c-6
0.176
MAR-TRE-6c5ef77a-32
0.176
NAU-LAT-ec9c7557-2
0.174
DAR-DIA-0d514e7d-13
0.174
MAR-TRE-c8530538-11
0.173
MAR-TRE-66ac689e-85
0.172
KEI-TRE-d5e2018a-62
0.171
MAT-POS-ea426761-75
0.171
JAN-GHE-d851b096-6
0.171
MAR-TRE-66ac689e-94
0.170
ADA-UCB-6c2cb422-5
0.170
ALP-POS-305f6ec3-8
0.169
MAR-TRE-c8530538-87
0.168
MAT-POS-ea426761-1
0.168
DAV-UNK-d94803a2-2
0.167
MAT-POS-b5746674-57
0.167
MAT-POS-ea426761-59
0.167
KEI-TRE-fa9ada3e-16
0.167
AAR-UNI-c25c2f1e-84
0.165
MAR-TRE-1c920f6f-39
0.165
MAR-TRE-a3327163-37
0.165
KOV-VNK-5e1a909f-26
0.164
WIL-UNI-d4749f31-15
0.163
MAT-POS-ea426761-15
0.163
DAN-RED-da448e80-5
0.163
CAS-DEP-751a2458-6
0.163
MAR-TRE-f5c2d31c-24
0.162
DRV-DNY-3e405af9-5
0.162
PET-UNK-5eca9d1d-1
0.162
MAR-TRE-66ac689e-100
0.161
DAR-DIA-53551c05-7
0.161
MAR-TRE-f5c2d31c-95
0.161
KIM-UNI-60f168f5-2
0.160
RAL-THA-901e9a10-2
0.160
IND-SYN-2c708b29-1
0.160
DAR-DIA-53551c05-2
0.160
ALP-POS-e980f4ea-41
0.160
TAT-ENA-80bfd3e5-4
0.160
MAT-POS-fa06b69f-3
0.160
ALP-POS-780445ae-3
0.159