Molecular Properties | |
SMILES: | Cc1cc(-c2c(-c3ccc(F)cc3)nn3nc(C)ccc23)[nH]n1 |
MW: | 307.332 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 58.87 |
cLogP: | 3.54234 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
ALV-UNI-7ff1a6f9-2
0.574
ALV-UNI-7ff1a6f9-35
0.571
ALV-UNI-7ff1a6f9-30
0.560
ALV-UNI-7ff1a6f9-34
0.556
ALV-UNI-7ff1a6f9-32
0.549
ALV-UNI-7ff1a6f9-33
0.549
ALV-UNI-7ff1a6f9-5
0.542
ALV-UNI-7ff1a6f9-31
0.526
ALV-UNI-7ff1a6f9-29
0.506
ALV-UNI-7ff1a6f9-6
0.476
ALV-UNI-7ff1a6f9-28
0.455
ALV-UNI-7ff1a6f9-20
0.372
ALV-UNI-7ff1a6f9-22
0.333
ALV-UNI-7ff1a6f9-1
0.317
ALV-UNI-7ff1a6f9-26
0.295
ALV-UNI-7ff1a6f9-27
0.291
ALV-UNI-7ff1a6f9-23
0.290
ALV-UNI-7ff1a6f9-24
0.284
ALV-UNI-7ff1a6f9-25
0.282
ALV-UNI-7ff1a6f9-10
0.279
ALV-UNI-7ff1a6f9-11
0.270
ALV-UNI-7ff1a6f9-19
0.261
ALV-UNI-7ff1a6f9-21
0.260
ALV-UNI-7ff1a6f9-7
0.256
ALV-UNI-7ff1a6f9-14
0.255
ALV-UNI-7ff1a6f9-13
0.253
ALV-UNI-7ff1a6f9-17
0.250
ALV-UNI-7ff1a6f9-12
0.247
ALV-UNI-7ff1a6f9-18
0.247
ALV-UNI-7ff1a6f9-42
0.247
ALV-UNI-7ff1a6f9-8
0.244
ALV-UNI-7ff1a6f9-37
0.241
ALV-UNI-7ff1a6f9-16
0.240
ALV-UNI-7ff1a6f9-43
0.239
ALV-UNI-7ff1a6f9-15
0.237
ALV-UNI-7ff1a6f9-40
0.236
ALV-UNI-7ff1a6f9-41
0.233
ALV-UNI-7ff1a6f9-3
0.233
ALV-UNI-7ff1a6f9-38
0.231
MAR-TRE-a3327163-85
0.220
ALV-UNI-7ff1a6f9-9
0.218
ALV-UNI-7ff1a6f9-4
0.213
MAT-POS-b5746674-121
0.207
MAT-POS-b5746674-39
0.207
ALV-UNI-7ff1a6f9-44
0.206
ALV-UNI-7ff1a6f9-39
0.206
VID-DNY-1d288c6c-11
0.204
DRV-DNY-3e405af9-1
0.200
LYN-UNI-b265e4fd-2
0.198
MAT-POS-162a9720-10
0.195
MAR-TRE-3e4e6814-66
0.194
BEN-VAN-d8fd1356-11
0.192
VID-DNY-1d288c6c-5
0.192
VID-DNY-1d288c6c-10
0.192
DRV-DNY-3e405af9-6
0.190
VID-DNY-1d288c6c-12
0.190
VID-DNY-1d288c6c-9
0.190
WIL-UNI-d4749f31-15
0.186
BEN-VAN-d8fd1356-15
0.186
DRV-DNY-3e405af9-5
0.184
DRV-DNY-3e405af9-4
0.184
LYN-UNI-b265e4fd-5
0.183
BEN-VAN-d8fd1356-18
0.183
KEI-TRE-d5e2018a-62
0.183
BEN-VAN-d8fd1356-17
0.183
JOH-IMS-0780e8d1-3
0.183
MAT-POS-b5746674-57
0.182
BEN-VAN-d8fd1356-19
0.181
MAN-SYN-45e45961-7
0.180
GER-UNI-05c7e912-1
0.180
MAR-TRE-b77b7921-7
0.179
GAB-REV-df64cf17-8
0.178
DAV-UNK-d94803a2-2
0.178
DRV-DNY-3e405af9-2
0.178
MAN-SYN-45e45961-5
0.177
MAR-TRE-d0525fbf-67
0.176
MAR-TRE-4b834d9a-18
0.176
MAR-TRE-04c86cea-73
0.176
JOH-IMS-0780e8d1-2
0.175
WIL-UNI-1faa9b10-34
0.174
UNK-UNK-2ede4078-57
0.173
MAR-TRE-f5c2d31c-24
0.173
DRV-DNY-3e405af9-9
0.171
DRV-DNY-3e405af9-3
0.171
EDJ-MED-c9f55a56-1
0.170
LON-WEI-5e7d1b3e-63
0.170
LON-WEI-4d77710c-63
0.170
WAR-XCH-bdd24732-11
0.170
MAR-TRE-7f7bb9f0-93
0.170
LON-WEI-1908424e-5
0.170
MAR-LAB-ff9967db-20
0.170
KOV-VNK-5e1a909f-25
0.169
JAG-UCB-52b62a6f-4
0.167
MAR-TRE-74c6519b-30
0.167
MAR-TRE-b77b7921-14
0.167
MAR-TRE-f6f5f473-17
0.167
VLA-UNK-c3e99b7a-6
0.165
BEN-VAN-d8fd1356-10
0.165
AAR-UNI-c25c2f1e-84
0.165
KOV-VNK-5e1a909f-26
0.164