Molecular Properties | |
SMILES: | Cc1ccn2c(-c3cnn(C)c3)c(-c3ccc(F)cc3)nc2c1 |
MW: | 306.344 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 35.12 |
cLogP: | 3.84932 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
ALV-UNI-7ff1a6f9-7
0.632
ALV-UNI-7ff1a6f9-19
0.629
ALV-UNI-7ff1a6f9-8
0.620
ALV-UNI-7ff1a6f9-13
0.603
ALV-UNI-7ff1a6f9-14
0.592
ALV-UNI-7ff1a6f9-17
0.592
ALV-UNI-7ff1a6f9-20
0.571
ALV-UNI-7ff1a6f9-16
0.564
ALV-UNI-7ff1a6f9-41
0.541
ALV-UNI-7ff1a6f9-15
0.500
ALV-UNI-7ff1a6f9-9
0.482
ALV-UNI-7ff1a6f9-25
0.366
ALV-UNI-7ff1a6f9-33
0.361
ALV-UNI-7ff1a6f9-42
0.346
ALV-UNI-7ff1a6f9-40
0.345
ALV-UNI-7ff1a6f9-43
0.333
ALV-UNI-7ff1a6f9-38
0.322
ALV-UNI-7ff1a6f9-37
0.321
ALV-UNI-7ff1a6f9-44
0.273
ALV-UNI-7ff1a6f9-39
0.273
ALV-UNI-7ff1a6f9-28
0.264
ALV-UNI-7ff1a6f9-4
0.261
ALV-UNI-7ff1a6f9-24
0.261
ALV-UNI-7ff1a6f9-22
0.255
MAR-TRE-c8530538-87
0.247
ALV-UNI-7ff1a6f9-36
0.247
ALV-UNI-7ff1a6f9-26
0.245
ALV-UNI-7ff1a6f9-23
0.242
ALV-UNI-7ff1a6f9-10
0.242
ALV-UNI-7ff1a6f9-32
0.242
WIL-UNI-d4749f31-24
0.240
ALV-UNI-7ff1a6f9-27
0.239
ALV-UNI-7ff1a6f9-3
0.239
ALV-UNI-7ff1a6f9-30
0.237
MAT-POS-b5746674-57
0.237
ALV-UNI-7ff1a6f9-11
0.234
ALV-UNI-7ff1a6f9-1
0.233
ALV-UNI-7ff1a6f9-31
0.232
ALV-UNI-7ff1a6f9-35
0.228
ALV-UNI-7ff1a6f9-21
0.228
MAR-TRE-a3327163-85
0.226
ALV-UNI-7ff1a6f9-5
0.226
ALV-UNI-7ff1a6f9-34
0.223
LON-WEI-ff7b210a-2
0.222
WIL-UNI-2a57d06c-22
0.222
MAT-POS-e10a589d-3
0.222
ALV-UNI-7ff1a6f9-2
0.222
ALV-UNI-7ff1a6f9-29
0.220
WIL-UNI-d4749f31-3
0.219
EDJ-MED-b24713dc-1
0.219
ALV-UNI-7ff1a6f9-12
0.216
MAT-POS-b5746674-121
0.213
MAT-POS-51833a24-5
0.204
MAR-TRE-c8530538-85
0.200
MAT-POS-b5746674-126
0.194
ALV-UNI-7ff1a6f9-6
0.192
PET-UNK-5eca9d1d-1
0.192
DAR-DIA-53551c05-7
0.186
MAR-TRE-e82e6c98-49
0.186
DAR-DIA-842b4336-23
0.186
KOV-VNK-5e1a909f-25
0.185
DAV-UNK-d94803a2-1
0.184
KEI-TRE-fa9ada3e-16
0.183
UNK-UNK-2ede4078-15
0.183
JUL-TUD-06b2044f-119
0.180
BRU-UNI-418e22dc-7
0.179
MAR-TRE-a3327163-93
0.179
KOV-VNK-5e1a909f-26
0.179
DRA-CSI-3ab97369-9
0.179
LYN-UNI-b265e4fd-2
0.178
KEI-TRE-d5e2018a-62
0.178
ALP-POS-a3de0cb1-5
0.178
DRV-DNY-3e405af9-9
0.177
LYN-UNI-b265e4fd-5
0.176
MAR-TRE-3e4e6814-66
0.176
AGN-NEW-63f62ae9-2
0.176
MAR-TRE-c8530538-19
0.176
MAK-UNK-e4a48a85-3
0.175
PET-UNK-94460c07-3
0.173
ALP-POS-8ed8d9ec-16
0.173
PAU-UNI-d269d79c-2
0.173
PAU-UNI-589039f7-1
0.173
DAV-UNK-d94803a2-2
0.173
ALP-POS-7c842ab8-2
0.172
MAT-POS-1e0c1c67-1
0.172
WAR-XCH-bdd24732-17
0.172
MAR-TRE-c317dd82-97
0.172
AAR-UNI-c25c2f1e-70
0.172
BAR-COM-4e090d3a-62
0.172
KUS-THE-322b9b63-13
0.171
JAC-SHE-fb00f511-1
0.171
KOV-VNK-5e1a909f-56
0.170
WIL-UNI-d4749f31-15
0.170
DAR-DIA-0d514e7d-13
0.169
MAR-TRE-66ac689e-100
0.168
BAR-COM-0f94fc3d-18
0.168
MAR-TRE-c8530538-67
0.168
DRV-DNY-3e405af9-5
0.168
JOH-PRI-13d3b0af-1
0.168
DAR-DIA-53551c05-3
0.168