Molecular Properties | |
SMILES: | Cc1ccn2c(-c3cnn(C)c3)c(-c3ccc(F)cc3)nc2n1 |
MW: | 307.332 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 48.01 |
cLogP: | 3.24432 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
ALV-UNI-7ff1a6f9-37
0.632
ALV-UNI-7ff1a6f9-38
0.620
ALV-UNI-7ff1a6f9-40
0.592
ALV-UNI-7ff1a6f9-18
0.541
ALV-UNI-7ff1a6f9-39
0.482
ALV-UNI-7ff1a6f9-33
0.361
ALV-UNI-7ff1a6f9-25
0.349
ALV-UNI-7ff1a6f9-42
0.346
ALV-UNI-7ff1a6f9-13
0.345
ALV-UNI-7ff1a6f9-43
0.333
ALV-UNI-7ff1a6f9-14
0.330
ALV-UNI-7ff1a6f9-17
0.329
ALV-UNI-7ff1a6f9-19
0.326
ALV-UNI-7ff1a6f9-20
0.325
ALV-UNI-7ff1a6f9-8
0.322
ALV-UNI-7ff1a6f9-7
0.321
ALV-UNI-7ff1a6f9-16
0.312
ALV-UNI-7ff1a6f9-15
0.295
ALV-UNI-7ff1a6f9-9
0.286
ALV-UNI-7ff1a6f9-44
0.273
ALV-UNI-7ff1a6f9-28
0.250
ALV-UNI-7ff1a6f9-24
0.247
ALV-UNI-7ff1a6f9-32
0.242
WIL-UNI-2a57d06c-22
0.235
ALV-UNI-7ff1a6f9-36
0.233
ALV-UNI-7ff1a6f9-4
0.233
ALV-UNI-7ff1a6f9-22
0.230
ALV-UNI-7ff1a6f9-10
0.228
ALV-UNI-7ff1a6f9-35
0.228
WIL-UNI-d4749f31-24
0.228
MAR-TRE-a3327163-85
0.226
ALV-UNI-7ff1a6f9-27
0.226
ALV-UNI-7ff1a6f9-5
0.226
ALV-UNI-7ff1a6f9-30
0.224
LON-WEI-ff7b210a-2
0.222
MAT-POS-e10a589d-3
0.222
ALV-UNI-7ff1a6f9-2
0.222
ALV-UNI-7ff1a6f9-11
0.221
ALV-UNI-7ff1a6f9-31
0.220
ALV-UNI-7ff1a6f9-1
0.220
ALV-UNI-7ff1a6f9-26
0.219
ALV-UNI-7ff1a6f9-23
0.218
ALV-UNI-7ff1a6f9-3
0.211
ALV-UNI-7ff1a6f9-34
0.211
ALV-UNI-7ff1a6f9-29
0.208
WIL-UNI-d4749f31-3
0.208
MAT-POS-b5746674-57
0.205
ALV-UNI-7ff1a6f9-12
0.204
ALV-UNI-7ff1a6f9-21
0.204
MAT-POS-b5746674-121
0.200
ALV-UNI-7ff1a6f9-6
0.192
MAR-TRE-a3327163-93
0.191
MAR-TRE-c317dd82-97
0.184
KEI-TRE-fa9ada3e-16
0.183
MAR-TRE-66ac689e-100
0.181
ALP-POS-305f6ec3-30
0.176
MAR-TRE-a9136c7b-77
0.175
KOV-VNK-5e1a909f-25
0.175
DAV-UNK-d94803a2-2
0.173
BAR-COM-4e090d3a-62
0.172
MAT-POS-b5746674-126
0.171
MAR-TRE-6c5ef77a-32
0.171
KUS-THE-322b9b63-13
0.171
WIL-UNI-2a57d06c-15
0.171
KOV-VNK-5e1a909f-56
0.170
WIL-UNI-d4749f31-15
0.170
MAR-TRE-66ac689e-85
0.167
KEI-TRE-d5e2018a-62
0.167
DAR-DIA-53551c05-7
0.167
MAR-TRE-3e4e6814-66
0.165
MAR-TRE-66ac689e-94
0.165
LYN-UNI-b265e4fd-2
0.165
DAV-UNK-d94803a2-1
0.164
MAT-POS-ea426761-68
0.164
MAR-TRE-c8530538-87
0.163
LON-WEI-4d77710c-2
0.163
LON-WEI-5e7d1b3e-2
0.163
LYN-UNI-b265e4fd-5
0.163
WIL-UNI-d4749f31-26
0.162
DAR-DIA-842b4336-23
0.162
BEN-DND-93268d01-5
0.161
JAC-SHE-fb00f511-1
0.161
WAR-XCH-bdd24732-17
0.160
IND-SYN-6c8299e8-12
0.160
AAR-UNI-c25c2f1e-70
0.160
BRU-UNI-418e22dc-7
0.160
DAR-DIA-0d514e7d-13
0.160
MAT-POS-1e0c1c67-1
0.160
DRV-DNY-ae159ed1-2
0.160
BRU-THA-92256091-67
0.159
RAF-UNK-26121f85-3
0.159
MAR-TRE-a3327163-37
0.159
RAI-NOV-2f6a9876-4
0.158
DRA-CSI-3ab97369-9
0.158
DAR-DIA-53551c05-16
0.157
MAR-TRE-c8530538-67
0.157
MAR-TRE-f5c2d31c-24
0.157
PET-UNK-5eca9d1d-1
0.157
BAR-COM-0f94fc3d-18
0.157
JUL-TUD-06b2044f-119
0.157