Molecular Properties | |
SMILES: | Cc1cn2c(-c3ccncc3)c(-c3ccc(F)cc3)nc2s1 |
MW: | 309.369 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 30.19 |
cLogP: | 4.57232 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
ALV-UNI-7ff1a6f9-43
0.672
ALV-UNI-7ff1a6f9-44
0.532
ALV-UNI-7ff1a6f9-7
0.493
ALV-UNI-7ff1a6f9-37
0.493
ALV-UNI-7ff1a6f9-2
0.346
ALV-UNI-7ff1a6f9-18
0.346
ALV-UNI-7ff1a6f9-41
0.346
ALV-UNI-7ff1a6f9-1
0.342
ALV-UNI-7ff1a6f9-10
0.333
ALV-UNI-7ff1a6f9-13
0.333
ALV-UNI-7ff1a6f9-8
0.325
ALV-UNI-7ff1a6f9-38
0.325
ALV-UNI-7ff1a6f9-40
0.317
ALV-UNI-7ff1a6f9-17
0.317
ALV-UNI-7ff1a6f9-19
0.313
ALV-UNI-7ff1a6f9-3
0.300
ALV-UNI-7ff1a6f9-20
0.296
ALV-UNI-7ff1a6f9-4
0.293
ALV-UNI-7ff1a6f9-14
0.289
ALV-UNI-7ff1a6f9-9
0.274
ALV-UNI-7ff1a6f9-39
0.274
ALV-UNI-7ff1a6f9-16
0.272
ALV-UNI-7ff1a6f9-15
0.255
ALV-UNI-7ff1a6f9-5
0.253
ALV-UNI-7ff1a6f9-28
0.250
ALV-UNI-7ff1a6f9-34
0.250
ALV-UNI-7ff1a6f9-11
0.247
ALV-UNI-7ff1a6f9-36
0.247
ALV-UNI-7ff1a6f9-26
0.244
ALV-UNI-7ff1a6f9-22
0.242
ALV-UNI-7ff1a6f9-32
0.241
ALV-UNI-7ff1a6f9-33
0.241
ALV-UNI-7ff1a6f9-35
0.241
MAR-TRE-a3327163-85
0.241
ALV-UNI-7ff1a6f9-27
0.239
ALV-UNI-7ff1a6f9-30
0.237
ALV-UNI-7ff1a6f9-24
0.233
WIL-UNI-2a57d06c-12
0.232
ALV-UNI-7ff1a6f9-25
0.230
ALV-UNI-7ff1a6f9-31
0.219
DRV-DNY-3e405af9-6
0.219
ALV-UNI-7ff1a6f9-23
0.216
ALV-UNI-7ff1a6f9-6
0.214
ALV-UNI-7ff1a6f9-12
0.214
MAR-TRE-c8530538-11
0.212
BEN-DND-93268d01-5
0.212
MAT-POS-b5746674-121
0.211
NIM-UNI-310206f0-1
0.209
MAT-POS-e10a589d-3
0.207
LON-WEI-ff7b210a-2
0.207
ALV-UNI-7ff1a6f9-29
0.206
MAT-POS-ea426761-86
0.206
MAT-POS-ea426761-6
0.204
DAN-RED-da448e80-5
0.204
WIL-UNI-d4749f31-10
0.204
LYN-UNI-b265e4fd-2
0.202
ALV-UNI-7ff1a6f9-21
0.202
ALP-POS-c0c213c9-2
0.200
MAR-TRE-3e4e6814-66
0.198
MAR-TRE-66ac689e-58
0.193
DAV-UNK-d94803a2-2
0.192
RED-RED-10c9212c-6
0.192
MED-UNK-28939ac5-4
0.191
BAR-COM-0f94fc3d-18
0.189
WAR-XCH-b72a1bbc-2
0.188
VLA-UNK-c3e99b7a-6
0.188
DAR-DIA-0d514e7d-13
0.188
LYN-UNI-b265e4fd-5
0.188
NIM-UNI-310206f0-69
0.187
KEI-TRE-d5e2018a-62
0.186
RAL-THA-901e9a10-2
0.186
MAT-POS-ea426761-75
0.186
MAR-TRE-04c86cea-29
0.184
DAR-DIA-48c639f7-8
0.183
AAR-POS-d2a4d1df-10
0.183
MAR-TRE-c8530538-62
0.182
MAR-TRE-36bf7dba-40
0.182
MAR-TRE-1c920f6f-39
0.182
MAR-TRE-7f7bb9f0-77
0.181
MAT-POS-ea426761-83
0.181
GAB-REV-70cc3ca5-9
0.181
CAS-DEP-751a2458-6
0.181
ALP-POS-780445ae-3
0.180
MAR-TRE-be9ff7d2-37
0.179
KOV-VNK-5e1a909f-56
0.179
NAU-LAT-ec9c7557-2
0.179
GAB-REV-70cc3ca5-15
0.177
KOV-VNK-5e1a909f-26
0.176
WIL-UNI-d4749f31-17
0.176
MAR-TRE-d0525fbf-1
0.176
TAT-ENA-80bfd3e5-4
0.176
MAT-POS-fa06b69f-3
0.176
MAR-TRE-67513f76-68
0.176
MAR-TRE-a3327163-93
0.176
JOH-MR_-42fa5481-8
0.175
WIL-UNI-2a57d06c-33
0.175
MAR-TRE-6a44bbf2-85
0.175
MAR-TRE-66ac689e-86
0.174
DAR-DIA-0cde14eb-68
0.174
KEI-TRE-d5e2018a-42
0.174