Molecular Properties | |
SMILES: | Cc1ccc2c(-c3cnc(N)nc3)c(-c3ccc(F)cc3)nn2n1 |
MW: | 320.331 |
Fraction sp3: | 0.06 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 81.99 |
cLogP: | 2.88302 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
aniline
ALV-UNI-7ff1a6f9-34
0.652
ALV-UNI-7ff1a6f9-5
0.638
ALV-UNI-7ff1a6f9-2
0.627
ALV-UNI-7ff1a6f9-33
0.623
ALV-UNI-7ff1a6f9-36
0.571
ALV-UNI-7ff1a6f9-30
0.566
ALV-UNI-7ff1a6f9-31
0.551
ALV-UNI-7ff1a6f9-32
0.534
ALV-UNI-7ff1a6f9-29
0.494
ALV-UNI-7ff1a6f9-6
0.482
ALV-UNI-7ff1a6f9-27
0.468
ALV-UNI-7ff1a6f9-19
0.361
ALV-UNI-7ff1a6f9-26
0.333
ALV-UNI-7ff1a6f9-28
0.326
ALV-UNI-7ff1a6f9-1
0.325
ALV-UNI-7ff1a6f9-10
0.318
ALV-UNI-7ff1a6f9-11
0.307
ALV-UNI-7ff1a6f9-24
0.307
ALV-UNI-7ff1a6f9-25
0.306
ALV-UNI-7ff1a6f9-22
0.298
ALV-UNI-7ff1a6f9-23
0.284
ALV-UNI-7ff1a6f9-12
0.281
ALV-UNI-7ff1a6f9-21
0.281
ALV-UNI-7ff1a6f9-13
0.261
ALV-UNI-7ff1a6f9-20
0.253
MAT-POS-b5746674-121
0.242
ALV-UNI-7ff1a6f9-42
0.241
ALV-UNI-7ff1a6f9-7
0.236
ALV-UNI-7ff1a6f9-37
0.236
ALV-UNI-7ff1a6f9-4
0.236
ALV-UNI-7ff1a6f9-43
0.233
ALV-UNI-7ff1a6f9-18
0.228
ALV-UNI-7ff1a6f9-41
0.228
ALV-UNI-7ff1a6f9-3
0.227
ALV-UNI-7ff1a6f9-8
0.226
ALV-UNI-7ff1a6f9-38
0.226
ALV-UNI-7ff1a6f9-40
0.217
ALV-UNI-7ff1a6f9-17
0.217
MAR-TRE-a3327163-85
0.214
ALV-UNI-7ff1a6f9-14
0.212
ALV-UNI-7ff1a6f9-16
0.210
ALV-UNI-7ff1a6f9-15
0.208
MAR-TRE-3724962b-15
0.206
MAR-TRE-04c86cea-73
0.206
ALV-UNI-7ff1a6f9-9
0.202
ALV-UNI-7ff1a6f9-44
0.202
ALV-UNI-7ff1a6f9-39
0.202
VID-DNY-1d288c6c-11
0.200
DRV-DNY-3e405af9-1
0.196
MAT-POS-162a9720-10
0.190
DRV-DNY-3e405af9-9
0.189
BEN-VAN-d8fd1356-11
0.189
VID-DNY-1d288c6c-5
0.188
VID-DNY-1d288c6c-12
0.186
VID-DNY-1d288c6c-9
0.186
MAR-TRE-b77b7921-7
0.186
MAR-TRE-74c6519b-30
0.185
MAR-TRE-f6f5f473-17
0.185
MAR-TRE-4b834d9a-18
0.183
UNK-UNK-2ede4078-57
0.182
DRV-DNY-3e405af9-4
0.181
DRV-DNY-3e405af9-5
0.181
MAR-TRE-3724962b-20
0.179
LYN-UNI-b265e4fd-5
0.179
MAR-TRE-3e4e6814-66
0.178
MAR-TRE-7f7bb9f0-93
0.178
MAT-POS-b5746674-57
0.177
BEN-VAN-d8fd1356-19
0.177
MAR-TRE-04c86cea-74
0.177
VID-DNY-1d288c6c-10
0.176
MAR-TRE-3724962b-22
0.176
MAN-SYN-45e45961-7
0.176
GAB-REV-df64cf17-8
0.175
DRV-DNY-3e405af9-6
0.175
DAV-UNK-d94803a2-2
0.174
MAK-UNK-5e88aa6a-14
0.173
MAN-SYN-45e45961-5
0.173
MAR-TRE-9c797165-85
0.173
WIL-UNI-d4749f31-15
0.171
MAR-TRE-f5c2d31c-24
0.170
MAT-POS-b5746674-119
0.169
TAT-ENA-80bfd3e5-4
0.168
MAR-TRE-66ac689e-85
0.168
MAT-POS-fa06b69f-3
0.168
MAR-TRE-f6f5f473-56
0.168
MAR-TRE-b77b7921-49
0.168
BEN-VAN-d8fd1356-17
0.168
KEI-TRE-d5e2018a-62
0.168
MAR-TRE-d0525fbf-66
0.168
LYN-UNI-b265e4fd-2
0.167
BEN-VAN-d8fd1356-18
0.167
MAR-TRE-fffca54f-77
0.167
MAR-TRE-b77b7921-20
0.167
DAV-UNK-d94803a2-1
0.165
MAR-TRE-74c6519b-21
0.165
MAR-TRE-74c6519b-64
0.165
MAR-TRE-b77b7921-21
0.165
MAR-TRE-4b834d9a-14
0.165
MAR-TRE-74c6519b-29
0.165
MAR-TRE-85681e92-25
0.165