Molecular Properties | |
SMILES: | Cc1ccc2c(-c3ccnn3C)c(-c3ccc(F)cc3)nn2n1 |
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-7ff1a6f9-33
0.600
ALV-UNI-7ff1a6f9-2
0.580
ALV-UNI-7ff1a6f9-36
0.549
ALV-UNI-7ff1a6f9-5
0.548
ALV-UNI-7ff1a6f9-34
0.541
ALV-UNI-7ff1a6f9-35
0.534
ALV-UNI-7ff1a6f9-30
0.487
ALV-UNI-7ff1a6f9-6
0.482
ALV-UNI-7ff1a6f9-29
0.476
ALV-UNI-7ff1a6f9-31
0.476
ALV-UNI-7ff1a6f9-24
0.474
ALV-UNI-7ff1a6f9-17
0.366
ALV-UNI-7ff1a6f9-40
0.366
ALV-UNI-7ff1a6f9-1
0.325
ALV-UNI-7ff1a6f9-25
0.321
ALV-UNI-7ff1a6f9-28
0.295
ALV-UNI-7ff1a6f9-26
0.289
ALV-UNI-7ff1a6f9-10
0.287
ALV-UNI-7ff1a6f9-11
0.278
ALV-UNI-7ff1a6f9-22
0.271
ALV-UNI-7ff1a6f9-27
0.270
ALV-UNI-7ff1a6f9-23
0.258
ALV-UNI-7ff1a6f9-12
0.255
ALV-UNI-7ff1a6f9-21
0.242
MAT-POS-b5746674-121
0.242
ALV-UNI-7ff1a6f9-18
0.242
ALV-UNI-7ff1a6f9-41
0.242
ALV-UNI-7ff1a6f9-42
0.241
ALV-UNI-7ff1a6f9-20
0.239
ALV-UNI-7ff1a6f9-37
0.236
ALV-UNI-7ff1a6f9-7
0.236
ALV-UNI-7ff1a6f9-13
0.234
ALV-UNI-7ff1a6f9-43
0.233
MAR-TRE-a3327163-85
0.229
ALV-UNI-7ff1a6f9-3
0.227
ALV-UNI-7ff1a6f9-8
0.226
ALV-UNI-7ff1a6f9-38
0.226
ALV-UNI-7ff1a6f9-19
0.215
VID-DNY-1d288c6c-11
0.213
DRV-DNY-3e405af9-6
0.210
ALV-UNI-7ff1a6f9-4
0.209
DRV-DNY-3e405af9-1
0.208
DRV-DNY-3e405af9-4
0.204
DRV-DNY-3e405af9-5
0.204
ALV-UNI-7ff1a6f9-44
0.202
ALV-UNI-7ff1a6f9-39
0.202
ALV-UNI-7ff1a6f9-9
0.202
VID-DNY-1d288c6c-10
0.200
ALV-UNI-7ff1a6f9-14
0.200
VID-DNY-1d288c6c-12
0.198
ALV-UNI-7ff1a6f9-16
0.198
ALV-UNI-7ff1a6f9-15
0.196
UNK-UNK-2ede4078-57
0.194
LYN-UNI-b265e4fd-2
0.193
LYN-UNI-b265e4fd-5
0.193
DRV-DNY-3e405af9-3
0.189
VID-DNY-1d288c6c-5
0.188
VID-DNY-1d288c6c-9
0.186
MAR-TRE-74c6519b-30
0.185
MAR-TRE-f6f5f473-17
0.185
DRV-DNY-3e405af9-2
0.185
MAR-TRE-04c86cea-73
0.183
DRV-DNY-3e405af9-9
0.179
MAT-POS-b5746674-57
0.177
MAT-POS-162a9720-10
0.176
WIL-UNI-2a57d06c-22
0.176
MAR-TRE-be9ff7d2-47
0.174
KEI-TRE-fa9ada3e-16
0.174
DAN-RED-da448e80-8
0.174
AAR-UNI-c25c2f1e-84
0.173
MAR-TRE-9c797165-85
0.173
MAR-TRE-4b834d9a-18
0.173
LON-WEI-ff7b210a-2
0.172
MAT-POS-e10a589d-3
0.172
MAR-TRE-d0525fbf-97
0.171
WIL-UNI-d4749f31-15
0.171
MAR-TRE-e82e6c98-30
0.170
MAR-TRE-f5c2d31c-24
0.170
MAR-TRE-66ac689e-85
0.168
MAR-TRE-b77b7921-49
0.168
WIL-UNI-d4749f31-30
0.168
KEI-TRE-d5e2018a-62
0.168
MAR-TRE-d0525fbf-66
0.168
MAR-TRE-3e4e6814-66
0.167
KEI-TRE-d5e2018a-42
0.167
MAR-TRE-7f7bb9f0-93
0.167
KOV-VNK-5e1a909f-25
0.167
MAR-TRE-b77b7921-7
0.165
MAR-TRE-b77b7921-21
0.165
MAT-POS-b5746674-127
0.165
BEN-VAN-d8fd1356-19
0.165
MAR-TRE-d0525fbf-70
0.164
DAV-UNK-d94803a2-2
0.164
GER-UNI-05c7e912-1
0.163
MAR-TRE-1c920f6f-79
0.163
AAR-UNI-c25c2f1e-34
0.162
BEN-VAN-d8fd1356-7
0.162
MAR-TRE-d0525fbf-88
0.162
MAR-TRE-d0525fbf-67
0.162
MAT-POS-1e0c1c67-1
0.161