Molecular Properties | |
SMILES: | Cc1cnc2c(-c3cccc4[nH]ncc34)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-7ff1a6f9-12
0.558
ALV-UNI-7ff1a6f9-23
0.547
ALV-UNI-7ff1a6f9-22
0.547
ALV-UNI-7ff1a6f9-29
0.535
ALV-UNI-7ff1a6f9-27
0.531
ALV-UNI-7ff1a6f9-25
0.525
ALV-UNI-7ff1a6f9-28
0.524
ALV-UNI-7ff1a6f9-10
0.519
ALV-UNI-7ff1a6f9-11
0.518
ALV-UNI-7ff1a6f9-26
0.512
ALV-UNI-7ff1a6f9-24
0.500
ALV-UNI-7ff1a6f9-15
0.430
ALV-UNI-7ff1a6f9-1
0.315
ALV-UNI-7ff1a6f9-31
0.307
ALV-UNI-7ff1a6f9-30
0.300
ALV-UNI-7ff1a6f9-6
0.288
ALV-UNI-7ff1a6f9-35
0.281
ALV-UNI-7ff1a6f9-16
0.269
ALV-UNI-7ff1a6f9-33
0.268
ALV-UNI-7ff1a6f9-5
0.265
ALV-UNI-7ff1a6f9-34
0.263
ALV-UNI-7ff1a6f9-36
0.260
ALV-UNI-7ff1a6f9-14
0.260
ALV-UNI-7ff1a6f9-2
0.250
ALV-UNI-7ff1a6f9-32
0.242
ALV-UNI-7ff1a6f9-20
0.237
ALV-UNI-7ff1a6f9-19
0.228
ALV-UNI-7ff1a6f9-18
0.228
ALV-UNI-7ff1a6f9-8
0.225
ALV-UNI-7ff1a6f9-44
0.225
ALV-UNI-7ff1a6f9-9
0.225
ALV-UNI-7ff1a6f9-4
0.222
ALV-UNI-7ff1a6f9-43
0.220
VLA-UCB-00f2c2b3-7
0.218
MAT-POS-b5746674-121
0.216
ALP-POS-91609ae9-3
0.214
ALV-UNI-7ff1a6f9-7
0.210
ALV-UNI-7ff1a6f9-13
0.210
NAU-LAT-356bd3c2-10
0.208
VLA-UCB-1dbca3b4-9
0.208
MAR-TRE-04c86cea-73
0.207
ALV-UNI-7ff1a6f9-17
0.206
VLA-UCB-1dbca3b4-8
0.206
RYA-MOD-343ecd80-4
0.206
ALV-UNI-7ff1a6f9-41
0.204
ALV-UNI-7ff1a6f9-39
0.204
MAR-TRE-a3327163-85
0.202
ALV-UNI-7ff1a6f9-42
0.202
ALV-UNI-7ff1a6f9-38
0.202
MAR-TRE-f6f5f473-17
0.198
MAR-TRE-74c6519b-30
0.198
SID-ELM-b654bfa2-18
0.196
VLA-UCB-1dbca3b4-11
0.194
MAT-POS-162a9720-10
0.194
RYA-MOD-343ecd80-3
0.193
JAG-UCB-cedd89ab-7
0.192
MAR-TRE-74c6519b-70
0.192
MAT-POS-ea426761-59
0.189
MAT-POS-199e2e7c-2
0.189
MAR-TRE-d0525fbf-70
0.187
KOV-VNK-5e1a909f-56
0.187
MAR-TRE-4b834d9a-18
0.186
ALV-UNI-7ff1a6f9-37
0.186
KOV-VNK-5e1a909f-26
0.183
ALV-UNI-7ff1a6f9-40
0.183
DRV-DNY-3e405af9-3
0.182
KOV-VNK-5e1a909f-25
0.180
MAR-TRE-4b834d9a-14
0.179
MAR-TRE-b77b7921-21
0.179
MAR-TRE-b77b7921-7
0.179
DAV-UNK-d94803a2-2
0.178
LON-WEI-9739a092-4
0.177
WIL-UNI-2a57d06c-20
0.177
DAR-DIA-5d6f1b43-8
0.177
LON-WEI-ff7b210a-2
0.176
MAT-POS-e10a589d-3
0.176
MAR-TRE-9c797165-85
0.176
UNK-UNK-2ede4078-59
0.176
NIM-UNI-310206f0-61
0.176
WIL-UNI-d4749f31-15
0.175
DRV-DNY-3e405af9-4
0.174
MAR-TRE-f5c2d31c-24
0.174
JON-UIO-d28d79fe-1
0.173
LON-WEI-5e7d1b3e-23
0.173
LON-WEI-4d77710c-23
0.173
ARI-TAT-5792557e-9
0.173
ALP-POS-a3de0cb1-5
0.172
MAR-TRE-04c86cea-88
0.172
MAR-TRE-f6f5f473-22
0.172
MAR-TRE-f6f5f473-93
0.172
MAR-TRE-d0525fbf-66
0.172
NAU-LAT-356bd3c2-3
0.171
MAR-TRE-3159af1a-53
0.171
UNK-UNK-2ede4078-13
0.171
MAR-TRE-7f7bb9f0-93
0.171
MAR-TRE-b77b7921-20
0.171
MAR-TRE-04c86cea-74
0.171
VID-DNY-1d288c6c-10
0.170
MAR-TRE-74c6519b-29
0.170
NAU-LAT-ec9c7557-6
0.169