Molecular Properties | |
SMILES: | Cc1ccc2c(-c3ccnc(N)c3)c(-c3ccc(F)cc3)nn2n1 |
MW: | 319.343 |
Fraction sp3: | 0.06 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 69.1 |
cLogP: | 3.48802 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
aniline
ALV-UNI-7ff1a6f9-2
0.657
ALV-UNI-7ff1a6f9-35
0.652
ALV-UNI-7ff1a6f9-5
0.597
ALV-UNI-7ff1a6f9-30
0.592
ALV-UNI-7ff1a6f9-33
0.583
ALV-UNI-7ff1a6f9-31
0.577
ALV-UNI-7ff1a6f9-36
0.556
ALV-UNI-7ff1a6f9-32
0.541
ALV-UNI-7ff1a6f9-6
0.506
ALV-UNI-7ff1a6f9-26
0.494
ALV-UNI-7ff1a6f9-29
0.482
ALV-UNI-7ff1a6f9-13
0.405
ALV-UNI-7ff1a6f9-1
0.349
ALV-UNI-7ff1a6f9-10
0.310
ALV-UNI-7ff1a6f9-27
0.307
ALV-UNI-7ff1a6f9-22
0.305
ALV-UNI-7ff1a6f9-28
0.303
ALV-UNI-7ff1a6f9-24
0.300
ALV-UNI-7ff1a6f9-23
0.292
ALV-UNI-7ff1a6f9-11
0.286
ALV-UNI-7ff1a6f9-25
0.284
ALV-UNI-7ff1a6f9-12
0.276
ALV-UNI-7ff1a6f9-19
0.264
ALV-UNI-7ff1a6f9-21
0.263
ALV-UNI-7ff1a6f9-7
0.258
MAT-POS-b5746674-121
0.250
ALV-UNI-7ff1a6f9-42
0.250
ALV-UNI-7ff1a6f9-20
0.247
ALV-UNI-7ff1a6f9-37
0.244
ALV-UNI-7ff1a6f9-17
0.239
ALV-UNI-7ff1a6f9-3
0.236
ALV-UNI-7ff1a6f9-8
0.234
ALV-UNI-7ff1a6f9-9
0.233
ALV-UNI-7ff1a6f9-4
0.231
ALV-UNI-7ff1a6f9-43
0.228
ALV-UNI-7ff1a6f9-40
0.226
ALV-UNI-7ff1a6f9-18
0.223
ALV-UNI-7ff1a6f9-39
0.221
ALV-UNI-7ff1a6f9-44
0.221
ALV-UNI-7ff1a6f9-38
0.221
ALV-UNI-7ff1a6f9-14
0.220
ALV-UNI-7ff1a6f9-16
0.218
ALV-UNI-7ff1a6f9-15
0.216
BEN-VAN-d8fd1356-19
0.211
ALV-UNI-7ff1a6f9-41
0.211
MAR-TRE-a3327163-85
0.209
MAR-TRE-74c6519b-30
0.204
MAR-TRE-f6f5f473-17
0.204
MAR-TRE-b77b7921-7
0.204
MAR-TRE-4b834d9a-18
0.202
MAR-TRE-04c86cea-73
0.202
MAT-POS-162a9720-10
0.200
BEN-VAN-d8fd1356-18
0.200
BEN-VAN-d8fd1356-11
0.196
MAR-TRE-7f7bb9f0-93
0.196
MAT-POS-ea426761-56
0.196
DRV-DNY-3e405af9-6
0.194
LYN-UNI-b265e4fd-2
0.189
DRV-DNY-3e405af9-4
0.189
MAT-POS-b5746674-57
0.188
LEO-EVO-0d2ed6fc-6
0.186
MAR-TRE-74c6519b-70
0.186
GER-UNI-05c7e912-1
0.185
VID-DNY-1d288c6c-11
0.184
GAB-REV-df64cf17-8
0.183
MAR-TRE-b77b7921-21
0.183
MAR-TRE-d0525fbf-70
0.181
MAR-TRE-d0525fbf-67
0.181
WAR-XCH-b72a1bbc-44
0.181
MAR-TRE-9c797165-85
0.180
DRV-DNY-3e405af9-1
0.180
WIL-UNI-d4749f31-15
0.179
WAR-XCH-b72a1bbc-43
0.179
DRV-DNY-3e405af9-5
0.178
MAR-TRE-f5c2d31c-24
0.178
MAR-TRE-d0525fbf-94
0.177
MAR-TRE-b77b7921-49
0.176
BEN-VAN-d8fd1356-17
0.176
WIL-UNI-d4749f31-39
0.176
MAR-TRE-d0525fbf-66
0.175
MAR-TRE-f6f5f473-22
0.175
DRV-DNY-3e405af9-9
0.175
IND-SYN-5e5c1c3e-1
0.175
IND-SYN-830dcead-1
0.175
IND-SYN-a2b2ab0e-2
0.175
MAR-TRE-3e4e6814-66
0.175
WIL-UNI-1faa9b10-53
0.175
LYN-UNI-b265e4fd-5
0.174
MAR-TRE-fffca54f-77
0.174
MAR-TRE-9c797165-92
0.174
MAR-TRE-b77b7921-20
0.174
MAR-TRE-6c5ef77a-37
0.173
VID-DNY-1d288c6c-5
0.173
VID-DNY-1d288c6c-10
0.173
MAT-POS-b5746674-127
0.173
MAR-TRE-4b834d9a-14
0.173
MAR-TRE-74c6519b-64
0.172
MAR-TRE-74c6519b-21
0.172
MAR-TRE-3e4e6814-4
0.172
VID-DNY-1d288c6c-12
0.171