Molecular Properties | |
SMILES: | Cc1ccn2c(-c3ccc4cn[nH]c4c3)c(-c3ccc(F)cc3)nc2c1 |
MW: | 342.377 |
Fraction sp3: | 0.05 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 45.98 |
cLogP: | 4.99212 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
ALV-UNI-7ff1a6f9-14
0.697
ALV-UNI-7ff1a6f9-7
0.566
ALV-UNI-7ff1a6f9-19
0.564
ALV-UNI-7ff1a6f9-18
0.564
ALV-UNI-7ff1a6f9-13
0.562
ALV-UNI-7ff1a6f9-8
0.557
ALV-UNI-7ff1a6f9-20
0.553
ALV-UNI-7ff1a6f9-15
0.541
ALV-UNI-7ff1a6f9-17
0.494
ALV-UNI-7ff1a6f9-9
0.441
ALV-UNI-7ff1a6f9-31
0.429
ALV-UNI-7ff1a6f9-23
0.424
ALV-UNI-7ff1a6f9-22
0.323
ALV-UNI-7ff1a6f9-38
0.323
ALV-UNI-7ff1a6f9-41
0.312
ALV-UNI-7ff1a6f9-37
0.308
ALV-UNI-7ff1a6f9-30
0.306
ALV-UNI-7ff1a6f9-40
0.301
ALV-UNI-7ff1a6f9-43
0.277
ALV-UNI-7ff1a6f9-42
0.272
ALV-UNI-7ff1a6f9-21
0.269
ALV-UNI-7ff1a6f9-39
0.264
ALV-UNI-7ff1a6f9-29
0.262
ALV-UNI-7ff1a6f9-28
0.255
MAR-TRE-c8530538-87
0.240
ALV-UNI-7ff1a6f9-36
0.240
ALV-UNI-7ff1a6f9-26
0.238
ALV-UNI-7ff1a6f9-44
0.229
ALV-UNI-7ff1a6f9-11
0.228
ALV-UNI-7ff1a6f9-25
0.224
ALV-UNI-7ff1a6f9-10
0.222
ALV-UNI-7ff1a6f9-27
0.220
ALV-UNI-7ff1a6f9-5
0.220
ALV-UNI-7ff1a6f9-3
0.219
ALV-UNI-7ff1a6f9-34
0.218
ALV-UNI-7ff1a6f9-24
0.216
KOV-VNK-5e1a909f-26
0.214
ALV-UNI-7ff1a6f9-4
0.214
KOV-VNK-5e1a909f-56
0.214
GAB-REV-df64cf17-6
0.213
GAB-REV-4a4e2ff3-9
0.212
ALV-UNI-7ff1a6f9-35
0.210
ALV-UNI-7ff1a6f9-33
0.210
MAR-TRE-c8530538-85
0.207
FRA-BIO-8bf1eac9-1
0.207
ALV-UNI-7ff1a6f9-2
0.204
GAB-REV-df64cf17-7
0.204
ALV-UNI-7ff1a6f9-1
0.202
KOV-VNK-5e1a909f-25
0.202
BEN-BAS-0534ec5c-1
0.200
ALV-UNI-7ff1a6f9-6
0.200
ALV-UNI-7ff1a6f9-12
0.200
ALV-UNI-7ff1a6f9-32
0.198
LON-WEI-ff7b210a-2
0.192
MAT-POS-e10a589d-3
0.192
DAR-DIA-5d6f1b43-8
0.191
EDJ-MED-b24713dc-1
0.190
WIL-UNI-d4749f31-28
0.187
MAT-POS-b5746674-121
0.184
KOV-VNK-5e1a909f-53
0.181
MAR-TRE-a3327163-85
0.181
MAT-POS-51833a24-5
0.179
PET-UNK-5eca9d1d-1
0.178
MAT-POS-fa06b69f-3
0.176
TAT-ENA-80bfd3e5-4
0.176
MAR-TRE-66ac689e-94
0.175
AGN-NEW-63f62ae9-2
0.174
GAB-REV-70cc3ca5-12
0.173
MAT-POS-b5746674-57
0.172
BAR-COM-4e090d3a-1
0.172
KOV-VNK-5e1a909f-55
0.171
VLA-UCB-00f2c2b3-2
0.170
UNK-UNK-2ede4078-15
0.170
KOV-VNK-5e1a909f-45
0.169
DAR-DIA-bd041b9b-25
0.168
WIL-UNI-d4749f31-24
0.168
GAB-REV-4a4e2ff3-17
0.168
MAR-TRE-c8530538-67
0.167
DRA-CSI-3ab97369-9
0.167
KOV-VNK-5e1a909f-52
0.167
BAR-COM-0f94fc3d-18
0.167
IND-SYN-2c708b29-1
0.167
KIM-UNI-60f168f5-2
0.167
DRV-DNY-3e405af9-9
0.165
KOV-VNK-5e1a909f-32
0.164
GAB-REV-df64cf17-3
0.164
WAR-XCH-bdd24732-11
0.164
MAR-TRE-c8530538-82
0.163
MAT-POS-f42f3716-1
0.162
MAT-POS-11ebe265-1
0.162
PET-UNK-94460c07-4
0.162
KEI-TRE-fa9ada3e-16
0.161
DAV-UNK-d94803a2-2
0.161
ALP-POS-8ed8d9ec-16
0.161
KOV-VNK-5e1a909f-54
0.161
GAB-REV-df64cf17-8
0.161
PET-UNK-94460c07-3
0.160
VLA-UNK-c3e99b7a-6
0.160
BEN-DND-02317c5c-4
0.160
MAT-POS-b5746674-126
0.159