Molecular Properties | |
SMILES: | Cc1ccn2c(-c3cccnc3)c(-c3ccc(F)cc3)nc2c1 |
MW: | 303.34 |
Fraction sp3: | 0.05 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 30.19 |
cLogP: | 4.51082 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
ALV-UNI-7ff1a6f9-7
0.672
ALV-UNI-7ff1a6f9-18
0.620
ALV-UNI-7ff1a6f9-19
0.620
ALV-UNI-7ff1a6f9-13
0.595
ALV-UNI-7ff1a6f9-14
0.564
ALV-UNI-7ff1a6f9-20
0.563
ALV-UNI-7ff1a6f9-17
0.562
ALV-UNI-7ff1a6f9-16
0.557
ALV-UNI-7ff1a6f9-38
0.547
ALV-UNI-7ff1a6f9-43
0.527
ALV-UNI-7ff1a6f9-15
0.512
ALV-UNI-7ff1a6f9-9
0.512
ALV-UNI-7ff1a6f9-5
0.369
ALV-UNI-7ff1a6f9-11
0.360
MAT-POS-b5746674-121
0.353
ALV-UNI-7ff1a6f9-37
0.349
ALV-UNI-7ff1a6f9-40
0.326
ALV-UNI-7ff1a6f9-42
0.325
ALV-UNI-7ff1a6f9-41
0.322
WAR-XCH-bdd24732-17
0.300
ALV-UNI-7ff1a6f9-39
0.296
DRV-DNY-3e405af9-5
0.286
FRA-BIO-8bf1eac9-1
0.283
ALV-UNI-7ff1a6f9-44
0.270
AUS-ARG-7cfdce8f-9
0.268
AUS-ARG-7cfdce8f-10
0.265
ALV-UNI-7ff1a6f9-3
0.264
JAR-KUA-8c13982c-1
0.260
ALV-UNI-7ff1a6f9-4
0.258
ALV-UNI-7ff1a6f9-10
0.253
MAR-TRE-3e4e6814-66
0.247
MAT-POS-ea426761-57
0.247
ALV-UNI-7ff1a6f9-28
0.247
ALV-UNI-7ff1a6f9-2
0.247
KEI-TRE-d5e2018a-62
0.245
MAR-TRE-c8530538-87
0.245
ALV-UNI-7ff1a6f9-1
0.244
ALV-UNI-7ff1a6f9-36
0.244
JAR-KUA-8c13982c-5
0.243
ALV-UNI-7ff1a6f9-26
0.242
ALV-UNI-7ff1a6f9-22
0.240
WAR-XCH-bdd24732-18
0.240
MAR-TRE-74c6519b-26
0.238
ALV-UNI-7ff1a6f9-12
0.238
AUS-ARG-7cfdce8f-7
0.237
ALV-UNI-7ff1a6f9-30
0.235
ALV-UNI-7ff1a6f9-34
0.234
MAR-TRE-c8530538-85
0.233
MAR-TRE-1c920f6f-64
0.232
ALV-UNI-7ff1a6f9-24
0.232
ARI-TAT-5792557e-12
0.231
ALV-UNI-7ff1a6f9-29
0.230
ALV-UNI-7ff1a6f9-31
0.230
BAR-COM-4e090d3a-1
0.230
MAT-POS-b5746674-127
0.229
ALV-UNI-7ff1a6f9-25
0.228
PET-UNK-94460c07-5
0.228
ALV-UNI-7ff1a6f9-23
0.228
MAR-TRE-7f7bb9f0-56
0.227
PET-UNK-5eca9d1d-1
0.227
KEI-TRE-d5e2018a-57
0.226
NAU-LAT-445f63e5-2
0.226
ALV-UNI-7ff1a6f9-32
0.226
KEI-TRE-d5e2018a-42
0.226
ALV-UNI-7ff1a6f9-33
0.226
ALV-UNI-7ff1a6f9-35
0.226
ALV-UNI-7ff1a6f9-6
0.225
ALV-UNI-7ff1a6f9-21
0.225
JAR-KUA-8c13982c-10
0.225
MAR-TRE-c8530538-44
0.224
ALV-UNI-7ff1a6f9-27
0.223
PET-UNK-4dc48bbe-3
0.223
AUS-ARG-7cfdce8f-5
0.223
DAR-DIA-bd041b9b-26
0.222
ISA-SCH-8e98219b-1
0.222
RAI-NOV-c18e0037-5
0.222
STE-UNK-28609fce-1
0.221
BAR-COM-4e090d3a-2
0.219
MAK-UNK-9e4a73aa-33
0.218
PET-UNK-94460c07-6
0.216
EDJ-MED-b24713dc-1
0.216
MAR-TRE-2fd8122f-84
0.216
AUS-ARG-7cfdce8f-6
0.215
MAK-UNK-9e4a73aa-34
0.214
MAK-UNK-a7b37c5e-5
0.214
MAR-TRE-04c86cea-13
0.212
MAR-TRE-c8530538-55
0.212
WIL-UNI-5578df48-33
0.212
ADA-UCB-6c2cb422-5
0.210
JAN-GHE-83b26c96-24
0.209
KEI-TRE-d5e2018a-29
0.208
PET-UNK-94460c07-3
0.208
WIL-UNI-5578df48-34
0.206
MAT-POS-ea426761-105
0.205
ROM-UNK-ef52a3c9-1
0.205
JAN-GHE-83b26c96-25
0.204
DAR-DIA-5d6f1b43-8
0.204
MAR-TRE-a3327163-5
0.204
FOC-CAS-e3a94da8-1
0.204
DAR-DIA-5d6f1b43-33
0.204