Molecular Properties | |
SMILES: | Cc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2n1 |
MW: | 304.328 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 43.08 |
cLogP: | 3.90582 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
ALV-UNI-7ff1a6f9-5
0.667
ALV-UNI-7ff1a6f9-34
0.657
ALV-UNI-7ff1a6f9-33
0.627
ALV-UNI-7ff1a6f9-35
0.627
ALV-UNI-7ff1a6f9-32
0.580
ALV-UNI-7ff1a6f9-36
0.574
ALV-UNI-7ff1a6f9-30
0.568
ALV-UNI-7ff1a6f9-31
0.553
ALV-UNI-7ff1a6f9-1
0.529
ALV-UNI-7ff1a6f9-6
0.500
ALV-UNI-7ff1a6f9-29
0.494
ALV-UNI-7ff1a6f9-10
0.434
ALV-UNI-7ff1a6f9-42
0.346
ALV-UNI-7ff1a6f9-7
0.338
ALV-UNI-7ff1a6f9-37
0.338
ALV-UNI-7ff1a6f9-26
0.314
ALV-UNI-7ff1a6f9-3
0.312
ALV-UNI-7ff1a6f9-11
0.302
ALV-UNI-7ff1a6f9-24
0.302
ALV-UNI-7ff1a6f9-28
0.291
ALV-UNI-7ff1a6f9-4
0.289
ALV-UNI-7ff1a6f9-25
0.286
ALV-UNI-7ff1a6f9-22
0.280
ALV-UNI-7ff1a6f9-27
0.279
ALV-UNI-7ff1a6f9-23
0.266
MAT-POS-b5746674-121
0.264
ALV-UNI-7ff1a6f9-12
0.263
ALV-UNI-7ff1a6f9-43
0.256
ALV-UNI-7ff1a6f9-13
0.256
DRV-DNY-3e405af9-6
0.255
ALV-UNI-7ff1a6f9-21
0.250
ALV-UNI-7ff1a6f9-8
0.247
ALV-UNI-7ff1a6f9-38
0.247
ALV-UNI-7ff1a6f9-20
0.247
ALV-UNI-7ff1a6f9-17
0.239
ALV-UNI-7ff1a6f9-40
0.239
ALV-UNI-7ff1a6f9-19
0.222
MAR-TRE-a3327163-85
0.222
ALV-UNI-7ff1a6f9-18
0.222
ALV-UNI-7ff1a6f9-41
0.222
ALV-UNI-7ff1a6f9-9
0.208
ALV-UNI-7ff1a6f9-44
0.208
ALV-UNI-7ff1a6f9-39
0.208
ALV-UNI-7ff1a6f9-14
0.206
ALV-UNI-7ff1a6f9-16
0.204
WAR-XCH-b72a1bbc-2
0.203
ALV-UNI-7ff1a6f9-15
0.202
MAR-TRE-04c86cea-73
0.200
MAR-TRE-b77b7921-7
0.191
MAR-TRE-f6f5f473-17
0.190
MAR-TRE-74c6519b-30
0.190
MAR-TRE-4b834d9a-18
0.189
DRV-DNY-3e405af9-5
0.186
LYN-UNI-b265e4fd-2
0.186
MAR-TRE-d0525fbf-1
0.185
MAT-POS-b5746674-57
0.184
MAT-POS-162a9720-10
0.183
MAR-TRE-67513f76-11
0.183
MAR-TRE-7f7bb9f0-93
0.183
BEN-VAN-d8fd1356-11
0.183
BEN-DND-93268d01-5
0.182
VID-DNY-1d288c6c-11
0.181
MAR-TRE-1c920f6f-39
0.180
WAR-XCH-b72a1bbc-4
0.179
MAR-TRE-7f7bb9f0-77
0.179
CAS-DEP-751a2458-6
0.179
AAR-UNI-c25c2f1e-84
0.178
LON-WEI-ff7b210a-2
0.178
MAT-POS-e10a589d-3
0.178
DRV-DNY-3e405af9-1
0.177
VLA-UNK-c3e99b7a-6
0.176
MAR-TRE-66ac689e-58
0.176
MAR-TRE-d0525fbf-97
0.176
MED-UNK-28939ac5-4
0.176
DRV-DNY-3e405af9-4
0.175
MAR-TRE-b77b7921-49
0.173
MAR-TRE-b77b7921-76
0.173
KEI-TRE-d5e2018a-62
0.173
MAR-TRE-3e4e6814-66
0.172
MAR-LAB-ff9967db-20
0.171
KOV-VNK-5e1a909f-25
0.171
LYN-UNI-b265e4fd-5
0.171
BEN-VAN-d8fd1356-19
0.170
VID-DNY-1d288c6c-10
0.170
VID-DNY-1d288c6c-5
0.170
MAR-TRE-4b834d9a-14
0.170
MAT-POS-ea426761-86
0.170
MAR-TRE-74c6519b-64
0.170
MAR-TRE-b77b7921-21
0.170
MAK-UNK-9e4a73aa-19
0.168
VID-DNY-1d288c6c-9
0.168
VID-DNY-1d288c6c-12
0.168
DRV-DNY-3e405af9-2
0.168
MAR-TRE-d0525fbf-70
0.168
MAR-TRE-1c920f6f-27
0.167
MAR-TRE-9c797165-85
0.167
MAR-TRE-d0525fbf-67
0.167
WAR-XCH-bdd24732-17
0.167
AAR-UNI-c25c2f1e-34
0.167
NIM-UNI-310206f0-1
0.167