Molecular Properties | |
SMILES: | Cc1cnc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2c1 |
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-7ff1a6f9-11
0.691
ALV-UNI-7ff1a6f9-27
0.687
ALV-UNI-7ff1a6f9-25
0.682
ALV-UNI-7ff1a6f9-26
0.681
ALV-UNI-7ff1a6f9-24
0.597
ALV-UNI-7ff1a6f9-22
0.584
ALV-UNI-7ff1a6f9-23
0.584
ALV-UNI-7ff1a6f9-28
0.583
ALV-UNI-7ff1a6f9-12
0.537
ALV-UNI-7ff1a6f9-21
0.519
ALV-UNI-7ff1a6f9-1
0.507
ALV-UNI-7ff1a6f9-2
0.434
ALV-UNI-7ff1a6f9-42
0.333
ALV-UNI-7ff1a6f9-7
0.325
ALV-UNI-7ff1a6f9-4
0.325
ALV-UNI-7ff1a6f9-35
0.318
ALV-UNI-7ff1a6f9-5
0.314
ALV-UNI-7ff1a6f9-34
0.310
ALV-UNI-7ff1a6f9-37
0.310
ALV-UNI-7ff1a6f9-33
0.302
ALV-UNI-7ff1a6f9-32
0.287
ALV-UNI-7ff1a6f9-6
0.281
ALV-UNI-7ff1a6f9-36
0.279
ALV-UNI-7ff1a6f9-31
0.274
MAT-POS-b5746674-121
0.270
ALV-UNI-7ff1a6f9-30
0.266
ALV-UNI-7ff1a6f9-43
0.261
ALV-UNI-7ff1a6f9-29
0.260
DRV-DNY-3e405af9-6
0.260
ALV-UNI-7ff1a6f9-3
0.256
ALV-UNI-7ff1a6f9-8
0.253
ALV-UNI-7ff1a6f9-13
0.247
ALV-UNI-7ff1a6f9-18
0.242
ALV-UNI-7ff1a6f9-19
0.242
ALV-UNI-7ff1a6f9-38
0.239
ALV-UNI-7ff1a6f9-20
0.239
ALV-UNI-7ff1a6f9-17
0.231
MAR-TRE-a3327163-85
0.229
ALV-UNI-7ff1a6f9-41
0.228
ALV-UNI-7ff1a6f9-9
0.225
ALV-UNI-7ff1a6f9-44
0.225
ALV-UNI-7ff1a6f9-16
0.222
ALV-UNI-7ff1a6f9-40
0.217
MAR-TRE-04c86cea-73
0.217
ALV-UNI-7ff1a6f9-39
0.214
ALV-UNI-7ff1a6f9-14
0.212
ALV-UNI-7ff1a6f9-15
0.208
MAR-TRE-4b834d9a-18
0.206
DRV-DNY-3e405af9-4
0.204
DRV-DNY-3e405af9-5
0.204
MAR-TRE-3e4e6814-66
0.202
VLA-UNK-c3e99b7a-6
0.202
MAR-TRE-7f7bb9f0-93
0.200
MAR-TRE-4b834d9a-14
0.198
MAR-TRE-c8530538-62
0.198
MAR-TRE-b77b7921-7
0.196
MAR-TRE-74c6519b-30
0.196
MAR-TRE-f6f5f473-17
0.196
WIL-UNI-d4749f31-15
0.194
MAT-POS-b5746674-57
0.192
KEI-TRE-d5e2018a-62
0.190
MAT-POS-162a9720-10
0.190
DRV-DNY-3e405af9-9
0.189
BEN-DND-93268d01-5
0.189
MAR-TRE-67513f76-11
0.189
MAR-TRE-74c6519b-67
0.189
VID-DNY-1d288c6c-10
0.188
VID-DNY-1d288c6c-11
0.188
MAT-POS-b5746674-127
0.187
MAR-TRE-1c920f6f-39
0.187
ALP-POS-95b75b4d-1
0.187
CAS-DEP-751a2458-6
0.186
MAR-TRE-d0525fbf-70
0.184
MAR-TRE-66ac689e-58
0.184
DRV-DNY-3e405af9-1
0.184
MAR-TRE-d0525fbf-97
0.183
MAK-UNK-9e4a73aa-34
0.182
MAK-MCD-5988fef6-1
0.182
MAR-TRE-f5c2d31c-24
0.181
AUS-ARG-7cfdce8f-6
0.181
MAR-TRE-66ac689e-85
0.181
MAR-TRE-4b834d9a-11
0.180
MAR-TRE-4b834d9a-21
0.180
MAR-TRE-b77b7921-49
0.180
MAR-TRE-74c6519b-70
0.179
WAR-XCH-b72a1bbc-2
0.178
AGN-NEW-63f62ae9-2
0.178
MAR-TRE-9c797165-92
0.178
MAR-TRE-74c6519b-82
0.178
MAK-UNK-a7b37c5e-5
0.176
KOV-VNK-5e1a909f-25
0.176
VID-DNY-1d288c6c-5
0.176
MAT-POS-f42f3716-4
0.176
MAT-POS-ea426761-86
0.176
MAR-TRE-04c86cea-12
0.175
MAR-TRE-7f7bb9f0-5
0.175
MAR-TRE-74c6519b-64
0.175
MAR-TRE-b77b7921-21
0.175
MAT-POS-ea426761-57
0.175
MAK-UNK-9e4a73aa-19
0.175