Molecular Properties | |
SMILES: | Cc1ccc2c(-c3ccc4[nH]ncc4c3)c(-c3ccc(F)cc3)nn2n1 |
MW: | 343.365 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 58.87 |
cLogP: | 4.38712 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
ALV-UNI-7ff1a6f9-31
0.707
ALV-UNI-7ff1a6f9-34
0.592
ALV-UNI-7ff1a6f9-2
0.568
ALV-UNI-7ff1a6f9-35
0.566
ALV-UNI-7ff1a6f9-33
0.566
ALV-UNI-7ff1a6f9-36
0.560
ALV-UNI-7ff1a6f9-5
0.558
ALV-UNI-7ff1a6f9-29
0.542
ALV-UNI-7ff1a6f9-22
0.536
ALV-UNI-7ff1a6f9-32
0.487
ALV-UNI-7ff1a6f9-6
0.444
ALV-UNI-7ff1a6f9-14
0.427
ALV-UNI-7ff1a6f9-23
0.372
ALV-UNI-7ff1a6f9-28
0.315
ALV-UNI-7ff1a6f9-16
0.306
ALV-UNI-7ff1a6f9-1
0.300
ALV-UNI-7ff1a6f9-21
0.300
ALV-UNI-7ff1a6f9-26
0.295
ALV-UNI-7ff1a6f9-15
0.277
ALV-UNI-7ff1a6f9-20
0.275
ALV-UNI-7ff1a6f9-24
0.271
ALV-UNI-7ff1a6f9-25
0.269
ALV-UNI-7ff1a6f9-10
0.266
ALV-UNI-7ff1a6f9-27
0.263
ALV-UNI-7ff1a6f9-11
0.258
VLA-UCB-00f2c2b3-2
0.245
ALV-UNI-7ff1a6f9-7
0.245
GAB-REV-4a4e2ff3-17
0.241
ALV-UNI-7ff1a6f9-12
0.238
GAB-REV-4a4e2ff3-12
0.237
ALV-UNI-7ff1a6f9-18
0.237
ALV-UNI-7ff1a6f9-19
0.237
ALV-UNI-7ff1a6f9-42
0.237
ALV-UNI-7ff1a6f9-8
0.235
GAB-REV-70cc3ca5-12
0.233
GAB-REV-df64cf17-5
0.233
ALV-UNI-7ff1a6f9-37
0.232
ALV-UNI-7ff1a6f9-13
0.230
ALV-UNI-7ff1a6f9-43
0.229
ALV-UNI-7ff1a6f9-17
0.227
GAB-REV-df64cf17-4
0.226
ALV-UNI-7ff1a6f9-41
0.224
ALV-UNI-7ff1a6f9-3
0.223
GAB-REV-df64cf17-3
0.223
ALV-UNI-7ff1a6f9-38
0.222
GAB-REV-df64cf17-2
0.221
ALV-UNI-7ff1a6f9-4
0.219
ALV-UNI-7ff1a6f9-40
0.214
MAR-TRE-a3327163-85
0.211
GAB-REV-4a4e2ff3-9
0.205
ALV-UNI-7ff1a6f9-9
0.200
MAT-POS-b5746674-121
0.200
ALV-UNI-7ff1a6f9-39
0.189
ALV-UNI-7ff1a6f9-44
0.189
KOV-VNK-5e1a909f-25
0.185
GAB-REV-df64cf17-8
0.185
MAR-TRE-b77b7921-7
0.185
DAV-UNK-d94803a2-2
0.184
MAR-TRE-d0525fbf-67
0.183
KOV-VNK-5e1a909f-26
0.180
MAR-TRE-b77b7921-49
0.179
LYN-UNI-b265e4fd-2
0.179
MAT-POS-ea426761-34
0.178
BEN-VAN-d8fd1356-11
0.177
MAT-POS-162a9720-10
0.176
MAT-POS-ea426761-91
0.175
MAR-TRE-b77b7921-21
0.175
VID-DNY-1d288c6c-11
0.175
MAR-TRE-74c6519b-30
0.174
DRV-DNY-3e405af9-2
0.174
MAR-TRE-f6f5f473-17
0.174
MAR-TRE-d0525fbf-70
0.174
VOL-CHA-cc800c76-4
0.174
WAR-XCH-bdd24732-17
0.173
MAR-TRE-4b834d9a-18
0.172
MAR-TRE-04c86cea-73
0.172
DRV-DNY-3e405af9-1
0.171
BEN-VAN-d8fd1356-15
0.170
DRV-DNY-3e405af9-5
0.170
MAR-TRE-f5c2d31c-24
0.170
BEN-VAN-d8fd1356-17
0.168
KEI-TRE-d5e2018a-62
0.168
DRV-DNY-3e405af9-9
0.168
DRV-DNY-3e405af9-3
0.168
MAR-TRE-74c6519b-70
0.168
MAR-TRE-fffca54f-77
0.167
MAR-TRE-7f7bb9f0-93
0.167
BEN-VAN-d8fd1356-18
0.167
SAN-PRS-3c4a6997-5
0.167
MAR-TRE-74c6519b-21
0.165
VID-DNY-1d288c6c-5
0.165
VID-DNY-1d288c6c-10
0.165
BEN-VAN-d8fd1356-19
0.165
LYN-UNI-b265e4fd-5
0.165
LON-WEI-9739a092-4
0.164
VID-DNY-1d288c6c-12
0.164
VID-DNY-1d288c6c-9
0.164
DRV-DNY-3e405af9-6
0.164
BEN-DND-93268d01-5
0.163
MAN-SYN-45e45961-7
0.163