Molecular Properties | |
SMILES: | Cc1cnc2c(-c3cnn(C)c3)c(-c3ccc(F)cc3)nn2c1 |
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-7ff1a6f9-10
0.682
ALV-UNI-7ff1a6f9-27
0.672
ALV-UNI-7ff1a6f9-11
0.652
ALV-UNI-7ff1a6f9-26
0.643
ALV-UNI-7ff1a6f9-24
0.629
ALV-UNI-7ff1a6f9-22
0.592
ALV-UNI-7ff1a6f9-23
0.592
ALV-UNI-7ff1a6f9-28
0.592
ALV-UNI-7ff1a6f9-12
0.525
ALV-UNI-7ff1a6f9-21
0.525
ALV-UNI-7ff1a6f9-33
0.480
ALV-UNI-7ff1a6f9-18
0.366
ALV-UNI-7ff1a6f9-41
0.349
ALV-UNI-7ff1a6f9-1
0.346
ALV-UNI-7ff1a6f9-32
0.321
ALV-UNI-7ff1a6f9-35
0.306
ALV-UNI-7ff1a6f9-5
0.287
ALV-UNI-7ff1a6f9-2
0.286
ALV-UNI-7ff1a6f9-34
0.284
ALV-UNI-7ff1a6f9-36
0.282
ALV-UNI-7ff1a6f9-31
0.277
ALV-UNI-7ff1a6f9-6
0.271
ALV-UNI-7ff1a6f9-30
0.269
ALV-UNI-7ff1a6f9-4
0.267
ALV-UNI-7ff1a6f9-29
0.263
ALV-UNI-7ff1a6f9-17
0.247
MAR-TRE-a3327163-85
0.247
MAT-POS-b5746674-121
0.244
ALV-UNI-7ff1a6f9-19
0.244
MAT-POS-b5746674-57
0.243
ALV-UNI-7ff1a6f9-20
0.241
ALV-UNI-7ff1a6f9-13
0.237
ALV-UNI-7ff1a6f9-43
0.236
ALV-UNI-7ff1a6f9-40
0.233
ALV-UNI-7ff1a6f9-42
0.230
ALV-UNI-7ff1a6f9-8
0.228
ALV-UNI-7ff1a6f9-14
0.227
WIL-UNI-2a57d06c-22
0.227
ALV-UNI-7ff1a6f9-7
0.225
ALV-UNI-7ff1a6f9-16
0.224
ALV-UNI-7ff1a6f9-44
0.216
ALV-UNI-7ff1a6f9-9
0.216
ALV-UNI-7ff1a6f9-38
0.215
ALV-UNI-7ff1a6f9-37
0.211
ALV-UNI-7ff1a6f9-15
0.210
WIL-UNI-d4749f31-24
0.208
ALV-UNI-7ff1a6f9-39
0.204
BAR-COM-4e090d3a-62
0.200
DAV-UNK-d94803a2-2
0.198
BRU-UNI-418e22dc-7
0.193
MAT-POS-162a9720-10
0.193
MAR-TRE-3e4e6814-66
0.192
ALV-UNI-7ff1a6f9-3
0.189
MAR-TRE-b77b7921-7
0.188
MAR-TRE-c317dd82-97
0.188
AAR-UNI-c25c2f1e-70
0.188
ALP-POS-305f6ec3-30
0.188
MAR-TRE-74c6519b-30
0.187
MAR-TRE-f6f5f473-17
0.187
WIL-UNI-2a57d06c-20
0.186
DAR-DIA-842b4336-11
0.186
MAR-TRE-04c86cea-73
0.185
KUS-THE-322b9b63-13
0.185
MAR-TRE-4b834d9a-18
0.185
MAR-TRE-66ac689e-100
0.185
MAR-TRE-d0525fbf-97
0.184
WIL-UNI-d4749f31-15
0.184
MAT-POS-b5746674-119
0.184
MAR-TRE-66ac689e-85
0.183
DRV-DNY-3e405af9-4
0.183
MAR-TRE-f5c2d31c-24
0.183
KEI-TRE-d5e2018a-62
0.181
ALP-POS-a3de0cb1-5
0.181
MAK-UNK-10572812-14
0.180
MAR-TRE-d0525fbf-66
0.180
DRV-DNY-3e405af9-9
0.180
MAR-TRE-74c6519b-67
0.179
MAR-TRE-74c6519b-82
0.179
MAR-TRE-7f7bb9f0-93
0.179
KAY-MCD-d0fe5261-1
0.179
MAR-TRE-1c920f6f-79
0.179
MAR-TRE-6a44bbf2-58
0.179
DRR-IMP-dff87f5e-1
0.179
VID-DNY-1d288c6c-10
0.178
KOV-VNK-5e1a909f-25
0.178
MAR-TRE-4b834d9a-14
0.178
MAT-POS-b5746674-127
0.178
VID-DNY-1d288c6c-11
0.177
BRU-UNI-248b30bc-10
0.177
MAR-TRE-4b834d9a-38
0.176
TIM-UNK-4ca1325a-1
0.176
JUL-TUD-06b2044f-90
0.175
MAR-TRE-9c797165-35
0.175
MAR-TRE-3e4e6814-20
0.175
MAR-TRE-d0525fbf-88
0.174
LON-WEI-ff7b210a-2
0.174
MAT-POS-e10a589d-3
0.174
VLA-UNK-c3e99b7a-6
0.174
DRV-DNY-3e405af9-1
0.173
NAU-LAT-ec9c7557-3
0.173