Molecular Properties | |
SMILES: | Cc1cnc2c(-c3ccnn3C)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-7ff1a6f9-25
0.629
ALV-UNI-7ff1a6f9-10
0.597
ALV-UNI-7ff1a6f9-28
0.581
ALV-UNI-7ff1a6f9-11
0.573
ALV-UNI-7ff1a6f9-27
0.568
ALV-UNI-7ff1a6f9-26
0.566
ALV-UNI-7ff1a6f9-12
0.518
ALV-UNI-7ff1a6f9-22
0.506
ALV-UNI-7ff1a6f9-23
0.506
ALV-UNI-7ff1a6f9-21
0.500
ALV-UNI-7ff1a6f9-32
0.474
ALV-UNI-7ff1a6f9-17
0.353
ALV-UNI-7ff1a6f9-1
0.345
ALV-UNI-7ff1a6f9-33
0.337
ALV-UNI-7ff1a6f9-40
0.337
ALV-UNI-7ff1a6f9-35
0.307
ALV-UNI-7ff1a6f9-5
0.303
ALV-UNI-7ff1a6f9-2
0.302
ALV-UNI-7ff1a6f9-34
0.300
ALV-UNI-7ff1a6f9-6
0.286
ALV-UNI-7ff1a6f9-36
0.284
ALV-UNI-7ff1a6f9-31
0.278
ALV-UNI-7ff1a6f9-30
0.271
ALV-UNI-7ff1a6f9-29
0.265
ALV-UNI-7ff1a6f9-18
0.261
MAT-POS-b5746674-121
0.261
ALV-UNI-7ff1a6f9-4
0.256
ALV-UNI-7ff1a6f9-41
0.247
ALV-UNI-7ff1a6f9-43
0.239
MAR-TRE-a3327163-85
0.235
ALV-UNI-7ff1a6f9-19
0.234
ALV-UNI-7ff1a6f9-42
0.233
ALV-UNI-7ff1a6f9-8
0.232
ALV-UNI-7ff1a6f9-20
0.231
ALV-UNI-7ff1a6f9-9
0.231
ALV-UNI-7ff1a6f9-44
0.231
ALV-UNI-7ff1a6f9-7
0.228
ALV-UNI-7ff1a6f9-13
0.227
DRV-DNY-3e405af9-4
0.221
ALV-UNI-7ff1a6f9-39
0.219
ALV-UNI-7ff1a6f9-38
0.219
ALV-UNI-7ff1a6f9-16
0.216
ALV-UNI-7ff1a6f9-37
0.215
ALV-UNI-7ff1a6f9-15
0.214
DRV-DNY-3e405af9-5
0.210
VID-DNY-1d288c6c-11
0.206
ALV-UNI-7ff1a6f9-14
0.206
VID-DNY-1d288c6c-10
0.206
DRV-DNY-3e405af9-6
0.204
DRV-DNY-3e405af9-1
0.202
MAR-TRE-74c6519b-30
0.202
MAR-TRE-f6f5f473-17
0.202
MAR-TRE-4b834d9a-18
0.200
WIL-UNI-d4749f31-15
0.200
DRV-DNY-3e405af9-9
0.195
MAR-TRE-7f7bb9f0-93
0.194
ALV-UNI-7ff1a6f9-3
0.194
VID-DNY-1d288c6c-12
0.192
DAV-UNK-d94803a2-2
0.191
MAR-TRE-9c797165-85
0.189
MAR-TRE-04c86cea-73
0.189
MAT-POS-b5746674-119
0.189
MAR-TRE-f5c2d31c-24
0.187
WIL-UNI-d4749f31-30
0.186
MAT-POS-b5746674-57
0.185
MAR-TRE-3e4e6814-66
0.184
MAR-TRE-d0525fbf-66
0.184
MAT-POS-162a9720-10
0.184
VID-DNY-1d288c6c-5
0.183
MAR-TRE-4b834d9a-14
0.182
MAR-TRE-b77b7921-7
0.181
VID-DNY-1d288c6c-9
0.181
DRV-DNY-3e405af9-2
0.180
MAR-TRE-d0525fbf-70
0.179
LON-WEI-ff7b210a-2
0.179
MAT-POS-e10a589d-3
0.179
MAR-TRE-d0525fbf-88
0.179
MAR-TRE-d0525fbf-97
0.178
MAT-POS-ea426761-35
0.178
MAR-TRE-66ac689e-85
0.175
MAR-TRE-a3327163-93
0.175
MAR-TRE-7f7bb9f0-78
0.175
KEI-TRE-d5e2018a-62
0.174
MAR-TRE-74c6519b-70
0.174
DRV-DNY-3e405af9-3
0.174
MAR-TRE-3e4e6814-70
0.172
KOV-VNK-5e1a909f-25
0.172
BEN-VAN-d8fd1356-19
0.172
MAR-TRE-1c920f6f-79
0.170
MAT-POS-ea426761-59
0.170
MAR-TRE-3e4e6814-10
0.170
MAR-TRE-7f7bb9f0-65
0.170
MAR-TRE-74c6519b-59
0.170
PAU-UNI-589039f7-1
0.170
PAU-UNI-d269d79c-2
0.170
JUL-TUD-06b2044f-90
0.169
MAR-TRE-be9ff7d2-47
0.169
WIL-UNI-2a57d06c-20
0.168
MAR-TRE-4b834d9a-60
0.168
MAR-TRE-3e4e6814-20
0.168