Molecular Properties | |
SMILES: | Cc1ccc2c(-c3ccc4cn[nH]c4c3)c(-c3ccc(F)cc3)nn2n1 |
MW: | 343.365 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 58.87 |
cLogP: | 4.38712 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
ALV-UNI-7ff1a6f9-30
0.707
ALV-UNI-7ff1a6f9-34
0.577
ALV-UNI-7ff1a6f9-5
0.564
ALV-UNI-7ff1a6f9-2
0.553
ALV-UNI-7ff1a6f9-33
0.551
ALV-UNI-7ff1a6f9-35
0.551
ALV-UNI-7ff1a6f9-23
0.541
ALV-UNI-7ff1a6f9-29
0.529
ALV-UNI-7ff1a6f9-36
0.526
ALV-UNI-7ff1a6f9-32
0.476
ALV-UNI-7ff1a6f9-6
0.451
ALV-UNI-7ff1a6f9-16
0.429
ALV-UNI-7ff1a6f9-22
0.394
ALV-UNI-7ff1a6f9-28
0.309
ALV-UNI-7ff1a6f9-21
0.307
ALV-UNI-7ff1a6f9-14
0.303
ALV-UNI-7ff1a6f9-26
0.302
ALV-UNI-7ff1a6f9-1
0.293
ALV-UNI-7ff1a6f9-11
0.278
ALV-UNI-7ff1a6f9-24
0.278
ALV-UNI-7ff1a6f9-25
0.277
ALV-UNI-7ff1a6f9-10
0.274
ALV-UNI-7ff1a6f9-15
0.272
ALV-UNI-7ff1a6f9-27
0.271
ALV-UNI-7ff1a6f9-20
0.269
GAB-REV-4a4e2ff3-9
0.254
ALV-UNI-7ff1a6f9-12
0.245
ALV-UNI-7ff1a6f9-18
0.232
ALV-UNI-7ff1a6f9-19
0.232
ALV-UNI-7ff1a6f9-8
0.230
ALV-UNI-7ff1a6f9-38
0.230
ALV-UNI-7ff1a6f9-7
0.227
ALV-UNI-7ff1a6f9-13
0.225
ALV-UNI-7ff1a6f9-43
0.224
ALV-UNI-7ff1a6f9-17
0.222
ALV-UNI-7ff1a6f9-41
0.220
ALV-UNI-7ff1a6f9-42
0.219
ALV-UNI-7ff1a6f9-3
0.219
ALV-UNI-7ff1a6f9-37
0.214
ALV-UNI-7ff1a6f9-4
0.214
GAB-REV-df64cf17-6
0.213
ALV-UNI-7ff1a6f9-40
0.210
BEN-BAS-0534ec5c-1
0.210
ALV-UNI-7ff1a6f9-9
0.207
GAB-REV-df64cf17-7
0.204
KOV-VNK-5e1a909f-25
0.202
ALV-UNI-7ff1a6f9-44
0.196
ALV-UNI-7ff1a6f9-39
0.196
MAT-POS-b5746674-121
0.196
KOV-VNK-5e1a909f-26
0.195
MAR-TRE-a3327163-85
0.194
DAR-DIA-5d6f1b43-8
0.191
KOV-VNK-5e1a909f-56
0.190
GAB-REV-4a4e2ff3-17
0.187
DRV-DNY-3e405af9-9
0.175
MAR-TRE-66ac689e-94
0.175
GAB-REV-4a4e2ff3-12
0.175
MAR-TRE-7f7bb9f0-93
0.174
MAT-POS-ea426761-91
0.172
MAR-TRE-b77b7921-7
0.172
MAT-POS-162a9720-10
0.172
VID-DNY-1d288c6c-11
0.171
GAB-REV-df64cf17-8
0.171
DRV-DNY-3e405af9-6
0.171
MAR-TRE-74c6519b-30
0.171
MAR-TRE-f6f5f473-17
0.171
DRV-DNY-3e405af9-2
0.171
VOL-CHA-cc800c76-4
0.171
LON-WEI-9739a092-4
0.171
VLA-UCB-00f2c2b3-2
0.170
MAR-TRE-4b834d9a-18
0.169
MAR-TRE-04c86cea-73
0.169
LON-WEI-ff7b210a-2
0.168
MAT-POS-e10a589d-3
0.168
DRV-DNY-3e405af9-1
0.168
DRV-DNY-3e405af9-5
0.167
MAR-TRE-74c6519b-70
0.165
KEI-TRE-d5e2018a-62
0.165
MAT-POS-fa06b69f-3
0.165
TAT-ENA-80bfd3e5-4
0.165
MAR-TRE-fffca54f-77
0.164
BEN-VAN-d8fd1356-11
0.164
GAB-REV-df64cf17-3
0.164
LYN-UNI-b265e4fd-2
0.163
MAT-POS-11ebe265-1
0.162
GAB-REV-70cc3ca5-12
0.162
GAB-REV-df64cf17-5
0.162
VID-DNY-1d288c6c-5
0.162
VID-DNY-1d288c6c-10
0.162
LYN-UNI-b265e4fd-5
0.161
DAV-UNK-d94803a2-2
0.161
VID-DNY-1d288c6c-12
0.161
VID-DNY-1d288c6c-9
0.161
KOV-VNK-5e1a909f-54
0.161
KOV-VNK-5e1a909f-34
0.160
VLA-UNK-c3e99b7a-6
0.160
MAR-TRE-9c797165-85
0.160
AAR-UNI-c25c2f1e-34
0.160
MAT-POS-b5746674-57
0.159
KOV-VNK-5e1a909f-53
0.159