Molecular Properties | |
SMILES: | Cc1ccn2c(-c3cnc(N)nc3)c(-c3ccc(F)cc3)nc2c1 |
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-7ff1a6f9-7
0.657
ALV-UNI-7ff1a6f9-13
0.648
ALV-UNI-7ff1a6f9-18
0.629
ALV-UNI-7ff1a6f9-8
0.620
ALV-UNI-7ff1a6f9-20
0.618
ALV-UNI-7ff1a6f9-14
0.571
ALV-UNI-7ff1a6f9-16
0.564
ALV-UNI-7ff1a6f9-17
0.548
ALV-UNI-7ff1a6f9-15
0.500
ALV-UNI-7ff1a6f9-9
0.482
ALV-UNI-7ff1a6f9-35
0.361
ALV-UNI-7ff1a6f9-27
0.357
ALV-UNI-7ff1a6f9-37
0.337
ALV-UNI-7ff1a6f9-41
0.326
ALV-UNI-7ff1a6f9-38
0.322
ALV-UNI-7ff1a6f9-40
0.314
ALV-UNI-7ff1a6f9-42
0.313
ALV-UNI-7ff1a6f9-43
0.302
ALV-UNI-7ff1a6f9-28
0.278
ALV-UNI-7ff1a6f9-39
0.273
ALV-UNI-7ff1a6f9-26
0.272
ALV-UNI-7ff1a6f9-34
0.264
ALV-UNI-7ff1a6f9-36
0.261
ALV-UNI-7ff1a6f9-22
0.255
ALV-UNI-7ff1a6f9-44
0.248
MAR-TRE-c8530538-87
0.247
ALV-UNI-7ff1a6f9-11
0.247
ALV-UNI-7ff1a6f9-4
0.247
ALV-UNI-7ff1a6f9-25
0.244
ALV-UNI-7ff1a6f9-23
0.242
ALV-UNI-7ff1a6f9-10
0.242
ALV-UNI-7ff1a6f9-5
0.239
ALV-UNI-7ff1a6f9-3
0.239
ALV-UNI-7ff1a6f9-30
0.237
ALV-UNI-7ff1a6f9-24
0.234
ALV-UNI-7ff1a6f9-31
0.232
EDJ-MED-b24713dc-1
0.232
ALV-UNI-7ff1a6f9-33
0.228
ALV-UNI-7ff1a6f9-21
0.228
MAT-POS-b5746674-121
0.226
ALV-UNI-7ff1a6f9-2
0.222
ALV-UNI-7ff1a6f9-29
0.220
ALV-UNI-7ff1a6f9-1
0.220
ALV-UNI-7ff1a6f9-12
0.216
ALV-UNI-7ff1a6f9-32
0.215
MAR-TRE-3724962b-15
0.204
ALV-UNI-7ff1a6f9-6
0.204
DRA-CSI-3ab97369-9
0.200
MAR-TRE-c8530538-85
0.200
MAR-TRE-a3327163-85
0.198
MAT-POS-e10a589d-3
0.196
LON-WEI-ff7b210a-2
0.196
MAR-TRE-3724962b-28
0.195
UNK-UNK-2ede4078-15
0.194
MAT-POS-b5746674-119
0.193
MAT-POS-51833a24-5
0.193
MAT-POS-b5746674-57
0.190
MAR-TRE-3e4e6814-66
0.188
WAR-XCH-bdd24732-11
0.188
DRV-DNY-3e405af9-9
0.188
VID-DNY-1d288c6c-5
0.186
VID-DNY-1d288c6c-11
0.186
RAF-POL-b61b4b25-6
0.185
DRV-DNY-ae159ed1-2
0.185
GAB-REV-df64cf17-8
0.184
VID-DNY-1d288c6c-12
0.184
KEI-TRE-fa9ada3e-16
0.183
JON-UIO-d28d79fe-2
0.183
HAO-BIO-c9aafde3-9
0.183
MAT-POS-b5746674-126
0.183
LON-WEI-1908424e-14
0.183
DRV-DNY-3e405af9-1
0.182
WIL-UNI-d4749f31-15
0.181
PET-UNK-5eca9d1d-1
0.180
BAR-COM-0f94fc3d-18
0.180
JAG-UCB-ef2c0e8e-5
0.180
DAR-DIA-0d514e7d-13
0.179
DRV-DNY-3e405af9-5
0.179
RED-RED-10c9212c-24
0.179
KOV-VNK-5e1a909f-26
0.179
WIL-UNI-d4749f31-28
0.178
BAR-COM-0f94fc3d-56
0.178
KEI-TRE-d5e2018a-62
0.178
AGN-NEW-63f62ae9-2
0.176
KOV-VNK-5e1a909f-25
0.175
MAT-POS-162a9720-10
0.174
MAT-POS-b5746674-127
0.174
BEN-DND-93268d01-5
0.174
VID-DNY-1d288c6c-9
0.173
DAV-UNK-d94803a2-2
0.173
MAT-POS-b5746674-48
0.172
MAR-TRE-3724962b-4
0.172
WAR-XCH-bdd24732-17
0.172
DAR-DIA-5d6f1b43-8
0.171
WIL-UNI-2a57d06c-20
0.171
RED-RED-10c9212c-6
0.171
VLA-UNK-c3e99b7a-6
0.171
MAR-TRE-74c6519b-26
0.170
CAS-DEP-751a2458-6
0.170
KOV-VNK-5e1a909f-56
0.170