Molecular Properties | |
SMILES: | Cc1ccn2c(-c3ccnn3C)c(-c3ccc(F)cc3)nc2n1 |
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-7ff1a6f9-37
0.594
ALV-UNI-7ff1a6f9-41
0.592
ALV-UNI-7ff1a6f9-38
0.562
ALV-UNI-7ff1a6f9-17
0.556
ALV-UNI-7ff1a6f9-39
0.488
ALV-UNI-7ff1a6f9-32
0.366
ALV-UNI-7ff1a6f9-13
0.349
ALV-UNI-7ff1a6f9-20
0.346
ALV-UNI-7ff1a6f9-18
0.345
ALV-UNI-7ff1a6f9-7
0.341
ALV-UNI-7ff1a6f9-24
0.337
ALV-UNI-7ff1a6f9-8
0.326
ALV-UNI-7ff1a6f9-42
0.317
ALV-UNI-7ff1a6f9-19
0.314
ALV-UNI-7ff1a6f9-43
0.306
ALV-UNI-7ff1a6f9-14
0.304
ALV-UNI-7ff1a6f9-9
0.302
ALV-UNI-7ff1a6f9-16
0.301
ALV-UNI-7ff1a6f9-15
0.298
ALV-UNI-7ff1a6f9-44
0.263
ALV-UNI-7ff1a6f9-33
0.244
ALV-UNI-7ff1a6f9-3
0.241
ALV-UNI-7ff1a6f9-28
0.239
LON-WEI-ff7b210a-2
0.239
MAT-POS-e10a589d-3
0.239
ALV-UNI-7ff1a6f9-2
0.239
ALV-UNI-7ff1a6f9-36
0.236
ALV-UNI-7ff1a6f9-25
0.233
ALV-UNI-7ff1a6f9-5
0.228
ALV-UNI-7ff1a6f9-34
0.226
ALV-UNI-7ff1a6f9-1
0.222
ALV-UNI-7ff1a6f9-4
0.222
ALV-UNI-7ff1a6f9-10
0.217
ALV-UNI-7ff1a6f9-35
0.217
MAT-POS-b5746674-121
0.215
ALV-UNI-7ff1a6f9-30
0.214
MAR-TRE-a3327163-85
0.214
ALV-UNI-7ff1a6f9-11
0.211
ALV-UNI-7ff1a6f9-31
0.210
ALV-UNI-7ff1a6f9-26
0.208
ALV-UNI-7ff1a6f9-22
0.208
MAR-TRE-a3327163-93
0.207
ALV-UNI-7ff1a6f9-6
0.206
ALV-UNI-7ff1a6f9-27
0.202
ALV-UNI-7ff1a6f9-29
0.198
ALV-UNI-7ff1a6f9-23
0.196
ALV-UNI-7ff1a6f9-12
0.194
MAR-TRE-66ac689e-94
0.191
MAR-TRE-c8530538-87
0.188
KOV-VNK-5e1a909f-56
0.184
ALV-UNI-7ff1a6f9-21
0.183
MAR-TRE-f5c2d31c-24
0.181
KOV-VNK-5e1a909f-25
0.176
MAR-TRE-a3327163-37
0.175
MAR-TRE-be9ff7d2-47
0.174
KEI-TRE-fa9ada3e-16
0.174
DAV-UNK-d94803a2-2
0.174
IND-SYN-6c8299e8-12
0.173
VLA-UNK-c3e99b7a-6
0.172
WIL-UNI-d4749f31-15
0.171
KOV-VNK-5e1a909f-26
0.171
MAR-TRE-c8530538-67
0.170
DAR-DIA-53551c05-3
0.170
MAR-TRE-66ac689e-85
0.168
DAR-DIA-53551c05-2
0.168
KEI-TRE-d5e2018a-62
0.168
DRV-DNY-3e405af9-9
0.168
MAR-TRE-d0525fbf-66
0.168
DAR-DIA-53551c05-7
0.168
KEI-TRE-d5e2018a-42
0.167
LYN-UNI-b265e4fd-2
0.167
MAR-TRE-3e4e6814-66
0.167
ALP-POS-305f6ec3-8
0.167
DAV-UNK-d94803a2-1
0.165
MAR-TRE-a9136c7b-26
0.165
LON-WEI-4d77710c-2
0.165
WIL-UNI-2a57d06c-22
0.165
VID-DNY-1d288c6c-5
0.165
LON-WEI-5e7d1b3e-2
0.165
MAT-POS-b5746674-39
0.165
MAR-TRE-a9136c7b-93
0.165
STE-DES-31efaedb-1
0.165
LYN-UNI-b265e4fd-5
0.165
BUT-UNK-efbf8c2c-1
0.164
DAN-RED-da448e80-8
0.164
DRV-DNY-3e405af9-2
0.164
PAU-UNI-d269d79c-2
0.164
PAU-UNI-589039f7-1
0.164
DRV-DNY-3e405af9-6
0.163
MAT-POS-ea426761-59
0.163
MAR-TRE-c8530538-14
0.163
VID-DNY-1d288c6c-11
0.163
BEN-DND-93268d01-5
0.163
ALP-POS-95f71980-38
0.163
MAT-POS-b5746674-57
0.163
MAR-TRE-67513f76-72
0.162
MAR-TRE-9c797165-85
0.162
MAT-POS-b5746674-126
0.162
BAR-COM-ebf5acce-2
0.162
MAR-TRE-6c5ef77a-32
0.162