Molecular Properties | |
SMILES: | Cc1ccn2c(-c3cccc4[nH]ncc34)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
0.548
ALV-UNI-7ff1a6f9-16
0.541
ALV-UNI-7ff1a6f9-9
0.534
ALV-UNI-7ff1a6f9-20
0.526
ALV-UNI-7ff1a6f9-8
0.512
ALV-UNI-7ff1a6f9-18
0.500
ALV-UNI-7ff1a6f9-7
0.500
ALV-UNI-7ff1a6f9-19
0.500
ALV-UNI-7ff1a6f9-17
0.488
ALV-UNI-7ff1a6f9-13
0.465
ALV-UNI-7ff1a6f9-29
0.440
ALV-UNI-7ff1a6f9-21
0.430
ALV-UNI-7ff1a6f9-38
0.305
ALV-UNI-7ff1a6f9-39
0.298
ALV-UNI-7ff1a6f9-40
0.298
ALV-UNI-7ff1a6f9-41
0.295
ALV-UNI-7ff1a6f9-37
0.290
ALV-UNI-7ff1a6f9-22
0.282
ALV-UNI-7ff1a6f9-30
0.277
ALV-UNI-7ff1a6f9-43
0.274
ALV-UNI-7ff1a6f9-44
0.274
ALV-UNI-7ff1a6f9-31
0.272
ALV-UNI-7ff1a6f9-23
0.269
ALV-UNI-7ff1a6f9-42
0.255
MAR-TRE-c8530538-87
0.250
EDJ-MED-b24713dc-1
0.248
ALV-UNI-7ff1a6f9-28
0.240
ALV-UNI-7ff1a6f9-36
0.237
NAU-LAT-356bd3c2-10
0.235
VLA-UCB-1dbca3b4-9
0.233
VLA-UCB-00f2c2b3-7
0.232
VLA-UCB-1dbca3b4-8
0.231
ALV-UNI-7ff1a6f9-3
0.229
ALV-UNI-7ff1a6f9-26
0.223
VLA-UCB-1dbca3b4-11
0.219
ALV-UNI-7ff1a6f9-5
0.218
ALV-UNI-7ff1a6f9-34
0.216
ALV-UNI-7ff1a6f9-11
0.214
ALV-UNI-7ff1a6f9-24
0.214
ALV-UNI-7ff1a6f9-1
0.212
ALV-UNI-7ff1a6f9-4
0.212
ALV-UNI-7ff1a6f9-25
0.210
PET-UNK-5eca9d1d-1
0.210
ALV-UNI-7ff1a6f9-12
0.209
ALV-UNI-7ff1a6f9-6
0.209
ALV-UNI-7ff1a6f9-33
0.208
ALV-UNI-7ff1a6f9-35
0.208
ALV-UNI-7ff1a6f9-10
0.208
RYA-MOD-343ecd80-4
0.208
ALV-UNI-7ff1a6f9-27
0.206
ALP-POS-91609ae9-3
0.205
KOV-VNK-5e1a909f-26
0.203
LON-WEI-ff7b210a-2
0.202
ALV-UNI-7ff1a6f9-2
0.202
MAT-POS-e10a589d-3
0.202
EDJ-MED-c8e7a002-9
0.202
MAT-POS-199e2e7c-2
0.202
KOV-VNK-5e1a909f-56
0.200
DAR-DIA-5d6f1b43-8
0.200
ALV-UNI-7ff1a6f9-32
0.196
NAU-LAT-356bd3c2-3
0.196
MAR-TRE-c8530538-85
0.195
RYA-MOD-343ecd80-3
0.194
VLA-UCB-00f2c2b3-5
0.194
JAG-UCB-cedd89ab-7
0.194
MAT-POS-b5746674-121
0.194
MAT-POS-67c9d7d9-1
0.194
PET-UNK-94460c07-3
0.192
MAR-TRE-a3327163-85
0.191
KOV-VNK-5e1a909f-25
0.190
MAT-POS-51833a24-5
0.188
PET-UNK-e8933450-1
0.188
JOH-UNI-f0df842c-4
0.186
SID-ELM-b654bfa2-18
0.186
VLA-UNK-c3e99b7a-6
0.186
DAR-DIA-53551c05-3
0.186
DAR-DIA-0d514e7d-13
0.185
WIL-UNI-d4749f31-28
0.185
AMY-UNI-4c947c91-1
0.185
RAF-POL-b61b4b25-9
0.184
MIC-UNK-66895286-3
0.184
DRV-DNY-3e405af9-3
0.183
GAB-REV-70cc3ca5-12
0.182
DAR-DIA-5d6f1b43-1
0.182
PET-UNK-94460c07-4
0.182
RUB-POS-1325a9ea-13
0.181
EDG-MED-ee636701-4
0.180
JUL-TUD-06b2044f-73
0.180
KOV-VNK-5e1a909f-55
0.180
PET-UNK-94460c07-1
0.180
JAN-GHE-83b26c96-24
0.180
EDG-MED-ee636701-2
0.180
GAB-REV-4a4e2ff3-3
0.179
EDJ-MED-c8e7a002-10
0.179
CAS-DEP-751a2458-2
0.179
DAR-DIA-56cf811e-6
0.177
DAR-DIA-53551c05-18
0.176
CAS-DEP-167c18e3-3
0.176
MAR-TRE-04c86cea-51
0.175
JAN-GHE-5a013bed-1
0.175