Molecular Properties | |
SMILES: | Cc1cnc2c(-c3ccc4cn[nH]c4c3)c(-c3ccc(F)cc3)nn2c1 |
MW: | 343.365 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 58.87 |
cLogP: | 4.38712 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
ALV-UNI-7ff1a6f9-22
0.714
ALV-UNI-7ff1a6f9-26
0.615
ALV-UNI-7ff1a6f9-25
0.592
ALV-UNI-7ff1a6f9-10
0.584
ALV-UNI-7ff1a6f9-11
0.582
ALV-UNI-7ff1a6f9-27
0.577
ALV-UNI-7ff1a6f9-28
0.550
ALV-UNI-7ff1a6f9-21
0.547
ALV-UNI-7ff1a6f9-31
0.541
ALV-UNI-7ff1a6f9-24
0.506
ALV-UNI-7ff1a6f9-12
0.462
ALV-UNI-7ff1a6f9-16
0.424
ALV-UNI-7ff1a6f9-30
0.372
ALV-UNI-7ff1a6f9-1
0.319
ALV-UNI-7ff1a6f9-29
0.310
ALV-UNI-7ff1a6f9-14
0.300
ALV-UNI-7ff1a6f9-34
0.292
ALV-UNI-7ff1a6f9-36
0.290
ALV-UNI-7ff1a6f9-33
0.284
ALV-UNI-7ff1a6f9-35
0.284
ALV-UNI-7ff1a6f9-5
0.281
ALV-UNI-7ff1a6f9-15
0.269
ALV-UNI-7ff1a6f9-6
0.267
ALV-UNI-7ff1a6f9-2
0.266
ALV-UNI-7ff1a6f9-32
0.258
ALV-UNI-7ff1a6f9-20
0.253
ALV-UNI-7ff1a6f9-4
0.250
ALV-UNI-7ff1a6f9-19
0.242
ALV-UNI-7ff1a6f9-18
0.242
GAB-REV-4a4e2ff3-9
0.231
ALV-UNI-7ff1a6f9-8
0.228
ALV-UNI-7ff1a6f9-7
0.224
ALV-UNI-7ff1a6f9-13
0.223
ALV-UNI-7ff1a6f9-43
0.222
GAB-REV-df64cf17-6
0.222
ALV-UNI-7ff1a6f9-17
0.220
ALV-UNI-7ff1a6f9-41
0.218
BEN-BAS-0534ec5c-1
0.218
ALV-UNI-7ff1a6f9-42
0.216
ALV-UNI-7ff1a6f9-9
0.216
ALV-UNI-7ff1a6f9-38
0.216
GAB-REV-df64cf17-7
0.212
MAT-POS-b5746674-121
0.206
ALV-UNI-7ff1a6f9-44
0.205
MAR-TRE-a3327163-85
0.204
ALV-UNI-7ff1a6f9-3
0.204
KOV-VNK-5e1a909f-26
0.203
ALV-UNI-7ff1a6f9-37
0.200
KOV-VNK-5e1a909f-25
0.200
KOV-VNK-5e1a909f-56
0.200
ALV-UNI-7ff1a6f9-40
0.196
ALV-UNI-7ff1a6f9-39
0.195
GAB-REV-df64cf17-3
0.194
MAR-TRE-f6f5f473-17
0.190
DAR-DIA-5d6f1b43-8
0.189
MAT-POS-b5746674-119
0.188
MAR-TRE-74c6519b-70
0.183
DRV-DNY-3e405af9-9
0.183
MAR-TRE-7f7bb9f0-93
0.183
GAB-REV-df64cf17-8
0.180
DAV-UNK-d94803a2-2
0.179
MAR-TRE-74c6519b-30
0.179
VLA-UCB-00f2c2b3-2
0.179
LON-WEI-9739a092-4
0.179
WIL-UNI-2a57d06c-20
0.179
LON-WEI-ff7b210a-2
0.178
MAT-POS-e10a589d-3
0.178
MAR-TRE-4b834d9a-18
0.178
WIL-UNI-d4749f31-15
0.177
VLA-UNK-c3e99b7a-6
0.177
GAB-REV-4a4e2ff3-17
0.176
DRV-DNY-3e405af9-4
0.175
MAR-TRE-f5c2d31c-24
0.175
KOV-VNK-5e1a909f-10
0.175
KEI-TRE-d5e2018a-62
0.174
MAR-TRE-f6f5f473-22
0.174
MAR-TRE-66ac689e-94
0.173
MAR-TRE-3e4e6814-66
0.173
MAR-TRE-3724962b-29
0.172
VID-DNY-1d288c6c-10
0.171
GAB-REV-70cc3ca5-12
0.171
MAT-POS-11ebe265-1
0.171
BRU-UNI-248b30bc-10
0.171
MAR-TRE-b77b7921-7
0.171
MAT-POS-b5746674-57
0.170
MAT-POS-162a9720-10
0.170
MAN-SYN-45e45961-7
0.170
VID-DNY-1d288c6c-11
0.170
DRV-DNY-3e405af9-6
0.170
DRV-DNY-3e405af9-2
0.169
MAR-TRE-d0525fbf-70
0.169
TIM-UNK-4ca1325a-1
0.168
KOV-VNK-5e1a909f-53
0.168
MAR-TRE-9c797165-85
0.168
MAR-TRE-04c86cea-73
0.168
KOV-VNK-5e1a909f-45
0.168
DRV-DNY-3e405af9-1
0.167
CAS-DEP-751a2458-6
0.167
KOV-VNK-5e1a909f-12
0.167
MAR-TRE-3159af1a-18
0.167