Molecular Properties | |
SMILES: | Cc1ccn2c(-c3cccnc3)c(-c3ccc(F)cc3)nc2n1 |
MW: | 304.328 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 43.08 |
cLogP: | 3.90582 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
ALV-UNI-7ff1a6f9-37
0.672
ALV-UNI-7ff1a6f9-41
0.620
ALV-UNI-7ff1a6f9-40
0.562
ALV-UNI-7ff1a6f9-8
0.547
ALV-UNI-7ff1a6f9-43
0.527
ALV-UNI-7ff1a6f9-39
0.512
ALV-UNI-7ff1a6f9-5
0.386
ALV-UNI-7ff1a6f9-11
0.360
ALV-UNI-7ff1a6f9-7
0.349
ALV-UNI-7ff1a6f9-13
0.341
MAT-POS-b5746674-121
0.337
ALV-UNI-7ff1a6f9-42
0.325
ALV-UNI-7ff1a6f9-16
0.323
ALV-UNI-7ff1a6f9-18
0.322
ALV-UNI-7ff1a6f9-19
0.322
ALV-UNI-7ff1a6f9-20
0.321
ALV-UNI-7ff1a6f9-14
0.312
ALV-UNI-7ff1a6f9-17
0.310
ALV-UNI-7ff1a6f9-9
0.309
ALV-UNI-7ff1a6f9-15
0.305
WAR-XCH-bdd24732-17
0.286
ALV-UNI-7ff1a6f9-44
0.270
JAR-KUA-8c13982c-1
0.248
DRV-DNY-3e405af9-5
0.248
ALV-UNI-7ff1a6f9-2
0.247
AUS-ARG-7cfdce8f-9
0.242
AUS-ARG-7cfdce8f-10
0.240
ALV-UNI-7ff1a6f9-10
0.239
MAR-TRE-c8530538-44
0.237
ALV-UNI-7ff1a6f9-3
0.236
MAR-TRE-3e4e6814-66
0.235
ALV-UNI-7ff1a6f9-28
0.234
FRA-BIO-8bf1eac9-1
0.233
KEI-TRE-d5e2018a-62
0.233
ALV-UNI-7ff1a6f9-36
0.231
ALV-UNI-7ff1a6f9-4
0.231
ALV-UNI-7ff1a6f9-1
0.231
ALV-UNI-7ff1a6f9-31
0.230
WAR-XCH-bdd24732-18
0.227
NAU-LAT-445f63e5-2
0.226
KEI-TRE-d5e2018a-42
0.226
ALV-UNI-7ff1a6f9-33
0.226
ALV-UNI-7ff1a6f9-35
0.226
ALV-UNI-7ff1a6f9-32
0.226
ALV-UNI-7ff1a6f9-6
0.225
ALV-UNI-7ff1a6f9-12
0.225
ALV-UNI-7ff1a6f9-30
0.222
ISA-SCH-8e98219b-1
0.222
ALV-UNI-7ff1a6f9-34
0.221
MAT-POS-ea426761-57
0.221
KTA-UNK-dac325de-1
0.221
JAR-KUA-8c13982c-5
0.219
ALP-POS-305f6ec3-8
0.219
ALV-UNI-7ff1a6f9-24
0.219
MAR-TRE-a9136c7b-82
0.219
ALV-UNI-7ff1a6f9-29
0.218
MAT-POS-b5746674-127
0.217
MAR-TRE-1c920f6f-64
0.217
ALV-UNI-7ff1a6f9-26
0.216
ALV-UNI-7ff1a6f9-23
0.216
MAR-TRE-a3327163-5
0.216
ALV-UNI-7ff1a6f9-22
0.216
AUS-ARG-7cfdce8f-6
0.215
ALV-UNI-7ff1a6f9-25
0.215
MAK-UNK-a7b37c5e-5
0.214
ALP-POS-95f71980-38
0.214
WIL-UNI-5578df48-1
0.213
MAR-TRE-7f7bb9f0-56
0.213
AUS-ARG-7cfdce8f-7
0.212
AUS-ARG-7cfdce8f-5
0.212
MAR-TRE-c8530538-55
0.212
WIL-UNI-5578df48-33
0.212
WIL-UNI-5578df48-7
0.211
ALV-UNI-7ff1a6f9-27
0.211
BAR-COM-4e090d3a-1
0.210
STE-UNK-28609fce-1
0.210
MAR-TRE-74c6519b-26
0.209
DAR-DIA-bd041b9b-26
0.209
WIL-UNI-5578df48-34
0.206
DAR-DIA-8b715a25-19
0.206
RIC-ARG-a8e88843-6
0.206
MAT-POS-ea426761-105
0.205
ALP-POS-ced8ea4d-27
0.205
ROM-UNK-ef52a3c9-1
0.205
MAR-TRE-2fd8122f-84
0.204
MAK-UNK-2c1752f0-2
0.203
MAK-UNK-9e4a73aa-34
0.202
MAR-TRE-d0525fbf-97
0.202
ALV-UNI-7ff1a6f9-21
0.202
KEI-TRE-d5e2018a-95
0.200
MAR-TRE-92684b97-81
0.200
ALP-POS-02c6a514-45
0.200
ALP-POS-e980f4ea-27
0.200
ARI-TAT-5792557e-12
0.200
NIM-UNI-7ba87d62-2
0.200
MAR-TRE-d0525fbf-92
0.200
ALP-POS-95f71980-40
0.198
BAR-COM-4e090d3a-2
0.198
RAI-NOV-c18e0037-5
0.198
AUS-ARG-7cfdce8f-16
0.198