Molecular Properties | |
SMILES: | Cc1cnc2c(-c3cnc(N)nc3)c(-c3ccc(F)cc3)nn2c1 |
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-7ff1a6f9-10
0.687
ALV-UNI-7ff1a6f9-25
0.672
ALV-UNI-7ff1a6f9-26
0.671
ALV-UNI-7ff1a6f9-11
0.657
ALV-UNI-7ff1a6f9-28
0.597
ALV-UNI-7ff1a6f9-22
0.577
ALV-UNI-7ff1a6f9-23
0.577
ALV-UNI-7ff1a6f9-24
0.568
ALV-UNI-7ff1a6f9-12
0.531
ALV-UNI-7ff1a6f9-21
0.531
ALV-UNI-7ff1a6f9-35
0.468
ALV-UNI-7ff1a6f9-19
0.357
ALV-UNI-7ff1a6f9-1
0.337
ALV-UNI-7ff1a6f9-34
0.307
ALV-UNI-7ff1a6f9-33
0.299
ALV-UNI-7ff1a6f9-5
0.295
ALV-UNI-7ff1a6f9-6
0.292
ALV-UNI-7ff1a6f9-36
0.291
ALV-UNI-7ff1a6f9-2
0.279
ALV-UNI-7ff1a6f9-29
0.271
ALV-UNI-7ff1a6f9-31
0.271
ALV-UNI-7ff1a6f9-32
0.270
ALV-UNI-7ff1a6f9-30
0.263
ALV-UNI-7ff1a6f9-20
0.250
ALV-UNI-7ff1a6f9-4
0.247
ALV-UNI-7ff1a6f9-13
0.245
MAT-POS-b5746674-121
0.239
ALV-UNI-7ff1a6f9-18
0.239
ALV-UNI-7ff1a6f9-42
0.239
ALV-UNI-7ff1a6f9-7
0.233
ALV-UNI-7ff1a6f9-43
0.231
MAR-TRE-a3327163-85
0.226
ALV-UNI-7ff1a6f9-41
0.226
ALV-UNI-7ff1a6f9-8
0.223
ALV-UNI-7ff1a6f9-9
0.223
ALV-UNI-7ff1a6f9-44
0.223
ALV-UNI-7ff1a6f9-16
0.220
ALV-UNI-7ff1a6f9-37
0.220
ALV-UNI-7ff1a6f9-17
0.215
ALV-UNI-7ff1a6f9-39
0.212
ALV-UNI-7ff1a6f9-38
0.211
ALV-UNI-7ff1a6f9-14
0.210
ALV-UNI-7ff1a6f9-15
0.206
MAR-TRE-3724962b-15
0.204
ALV-UNI-7ff1a6f9-40
0.202
VID-DNY-1d288c6c-11
0.198
DAV-UNK-d94803a2-2
0.194
DRV-DNY-3e405af9-1
0.194
MAT-POS-b5746674-119
0.193
MAR-TRE-04c86cea-73
0.193
DRV-DNY-3e405af9-4
0.190
MAT-POS-b5746674-57
0.190
MAR-TRE-3e4e6814-66
0.188
DRV-DNY-3e405af9-9
0.188
VID-DNY-1d288c6c-10
0.186
VID-DNY-1d288c6c-5
0.186
ALV-UNI-7ff1a6f9-3
0.185
VID-DNY-1d288c6c-9
0.184
VID-DNY-1d288c6c-12
0.184
MAR-TRE-74c6519b-30
0.183
MAR-TRE-f6f5f473-17
0.183
MAR-TRE-4b834d9a-18
0.182
MAR-TRE-9c797165-85
0.182
WIL-UNI-d4749f31-15
0.181
MAR-TRE-f5c2d31c-24
0.179
DRV-DNY-3e405af9-5
0.179
KEI-TRE-d5e2018a-62
0.178
MAR-TRE-3724962b-20
0.177
MAR-TRE-7f7bb9f0-93
0.176
MAT-POS-162a9720-10
0.174
MAR-TRE-4b834d9a-14
0.174
MAR-TRE-b77b7921-7
0.174
MAN-SYN-45e45961-7
0.174
MAR-TRE-4b834d9a-38
0.173
DRV-DNY-3e405af9-6
0.173
GAB-REV-df64cf17-8
0.173
TIM-UNK-4ca1325a-1
0.172
ALP-POS-902f21bb-1
0.172
WIL-UNI-2a57d06c-20
0.171
VLA-UNK-c3e99b7a-6
0.171
MAT-POS-e10a589d-3
0.170
LON-WEI-ff7b210a-2
0.170
MAR-TRE-3724962b-28
0.169
MAR-TRE-4b834d9a-21
0.168
MAK-UNK-10572812-14
0.168
MAR-TRE-74c6519b-70
0.167
MAR-TRE-f6f5f473-22
0.167
KOV-VNK-5e1a909f-25
0.165
MAR-TRE-b77b7921-20
0.165
MAR-TRE-d0525fbf-4
0.165
MAR-TRE-74c6519b-67
0.165
MAR-TRE-b77b7921-21
0.164
MAT-POS-b5746674-127
0.164
MAR-TRE-74c6519b-29
0.163
LYN-UNI-b265e4fd-5
0.163
MAR-TRE-d0525fbf-70
0.162
LON-WEI-9739a092-4
0.162
DRV-DNY-3e405af9-2
0.162
MAR-TRE-1c920f6f-79
0.161
MAK-UNK-a7b37c5e-5
0.161