Molecular Properties | |
SMILES: | Cc1ccncc1-n1ccnc1C |
MW: | 173.219 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 30.71 |
cLogP: | 1.88414 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
KIM-UNI-60f168f5-2
0.377
PET-UNK-5eca9d1d-2
0.358
ADA-UCB-6c2cb422-5
0.333
JAG-UCB-cedd89ab-1
0.318
EDJ-MED-e66f2cc5-1
0.314
KIM-UNI-60f168f5-3
0.312
KIM-UNI-60f168f5-4
0.312
KIM-UNI-60f168f5-6
0.308
KIM-UNI-60f168f5-5
0.308
AAR-POS-d2a4d1df-3
0.306
MAK-UNK-6435e6c2-8
0.306
PET-UNK-5eca9d1d-3
0.304
VLA-UCB-00f2c2b3-5
0.304
PET-UNK-94460c07-3
0.300
VLA-UCB-1dbca3b4-4
0.300
ALP-POS-95b75b4d-11
0.296
EDJ-MED-49816e9b-4
0.296
PET-UNK-eda34f30-1
0.292
PET-UNK-5eca9d1d-1
0.288
PET-UNK-7a31b064-3
0.280
PET-UNK-94460c07-4
0.276
IND-SYN-2c708b29-2
0.275
STE-UNK-4e3fa4d2-1
0.273
AGN-NEW-63f62ae9-2
0.272
AGN-NEW-63f62ae9-1
0.272
JAN-GHE-d851b096-6
0.271
PET-UNK-7a31b064-4
0.269
ALP-POS-95b75b4d-12
0.267
DAR-DIA-d6e5861b-8
0.266
MAT-POS-ea426761-57
0.264
KIM-UNI-60f168f5-7
0.263
KIM-UNI-60f168f5-8
0.263
MAK-UNK-9e4a73aa-31
0.260
JUL-TUD-06b2044f-125
0.260
DOU-UNK-b5326f8f-8
0.259
ASH-SAT-43770c7d-9
0.259
DAR-DIA-d6e5861b-10
0.258
KIM-UNI-60f168f5-9
0.256
KIM-UNI-60f168f5-10
0.256
DAR-DIA-d6e5861b-7
0.255
MAK-UNK-6ca90168-27
0.255
DAR-DIA-d6e5861b-6
0.253
MAK-UNK-6ca90168-26
0.250
ALE-HEI-f28a35b5-7
0.250
TRY-UNI-714a760b-11
0.250
ADA-UCB-6c2cb422-7
0.247
MAT-POS-590ac91e-11
0.246
DAR-DIA-d6e5861b-5
0.242
WAR-XCH-b72a1bbc-4
0.241
BEN-DND-6de5dfa0-9
0.240
MAT-POS-590ac91e-15
0.239
BEN-DND-6de5dfa0-10
0.239
JAN-GHE-83b26c96-11
0.238
ALE-HEI-f28a35b5-17
0.238
SCO-VAN-260d9628-1
0.238
STE-UNK-dfade101-2
0.237
ERI-UCB-5b47150d-1
0.237
MAT-POS-590ac91e-1
0.237
MAT-POS-590ac91e-2
0.237
EDG-MED-0da5ad92-6
0.235
MIC-UNK-e8a42ca9-2
0.235
NAU-LAT-3f5f3993-2
0.235
DAR-DIA-53551c05-4
0.235
ADA-UCB-6c2cb422-6
0.234
ERI-UCB-5b47150d-2
0.233
EDJ-MED-49816e9b-6
0.233
MAR-TRE-67513f76-79
0.233
DOU-UNK-b5326f8f-4
0.233
MAT-POS-590ac91e-27
0.232
EDG-MED-0da5ad92-3
0.232
BEN-DND-22e6b372-4
0.232
BEN-DND-93268d01-4
0.232
MAT-POS-590ac91e-14
0.232
MAR-TRE-be9ff7d2-43
0.232
MAT-POS-590ac91e-7
0.231
VLA-UCB-00f2c2b3-3
0.231
ERI-UCB-5b47150d-4
0.230
JAN-GHE-83b26c96-17
0.229
VLA-UCB-00f2c2b3-6
0.228
BEN-DND-6de5dfa0-13
0.228
BEN-DND-93268d01-12
0.228
BEN-DND-09b88bf4-5
0.227
BEN-DND-93268d01-11
0.227
MIC-UNK-e8a42ca9-1
0.227
BEN-DND-93268d01-9
0.227
GAB-REV-70cc3ca5-21
0.227
MAT-POS-590ac91e-13
0.226
ERI-UCB-5b47150d-3
0.226
MIH-UNI-3396182e-1
0.226
ALE-HEI-f28a35b5-13
0.226
ALE-HEI-f28a35b5-12
0.226
JAN-GHE-83b26c96-25
0.225
DAR-DIA-2964957d-2
0.225
BEN-DND-22e6b372-3
0.225
JAN-GHE-83b26c96-21
0.224
BEN-DND-93268d01-10
0.224
MAT-POS-590ac91e-26
0.224
BEN-DND-6de5dfa0-26
0.224
MAT-POS-590ac91e-10
0.224
DAR-DIA-56cf811e-2
0.224