Molecular Properties | |
SMILES: | O=C(Nc1nncn1C1CC1)c1cccc2ccccc12 |
MW: | 278.12 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 59.81 |
cLogP: | 3.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAN-GHE-f4ca5a00-12
0.423
NAU-LAT-e1818702-1
0.423
BRU-CON-67e07230-1
0.420
NAU-LAT-e1818702-4
0.402
NAU-LAT-e1818702-2
0.402
EDJ-MED-0e996074-1
0.388
EDJ-MED-2c295496-1
0.388
MAK-UNK-ec98eaf6-19
0.386
NAU-LAT-e1818702-3
0.386
NAU-LAT-8502cac5-4
0.383
NAU-LAT-e1818702-5
0.379
ADA-UCB-b1b30a00-9
0.379
JAG-UCB-c61058a9-34
0.375
JAN-GHE-f4ca5a00-11
0.375
NAU-LAT-e1818702-6
0.372
BRU-THA-a358fbdd-7
0.372
BRU-THA-a358fbdd-6
0.371
STE-KUL-2e0d2e88-2
0.369
NAU-LAT-8502cac5-2
0.368
MIC-UNK-deda7a44-5
0.368
JAG-UCB-c61058a9-18
0.368
ANT-OPE-7b52af4b-1
0.365
ANT-OPE-06da2058-1
0.360
MAK-UNK-6ca90168-1
0.359
JAG-UCB-c61058a9-12
0.359
NAU-LAT-8502cac5-8
0.356
JAN-GHE-299e5c7e-3
0.356
JAG-UCB-c61058a9-15
0.356
JAG-UCB-a3ef7265-20
0.356
JAG-UCB-119787ef-1
0.356
MAT-POS-968e8d9c-1
0.356
RAL-THA-6ca1b233-3
0.356
NAU-LAT-8502cac5-3
0.356
RAL-THA-5ed3c24e-3
0.356
JAG-UCB-c61058a9-19
0.352
JAG-UCB-a3ef7265-19
0.349
RAL-THA-6ca1b233-2
0.348
BRU-THA-a358fbdd-2
0.344
BRU-THA-a358fbdd-5
0.344
NAU-LAT-8502cac5-5
0.344
EDG-MED-4b32601a-2
0.344
EDG-MED-fe7487f8-1
0.344
EDG-MED-fe7487f8-2
0.344
EDG-MED-4b32601a-1
0.344
ANT-OPE-3d7cb11b-3
0.344
MAK-UNK-6ca90168-2
0.342
JAN-GHE-f4ca5a00-6
0.341
JAG-UCB-c61058a9-17
0.341
ANT-OPE-3d7cb11b-4
0.341
EDG-MED-a20b5824-1
0.341
JAG-UCB-c61058a9-8
0.341
BRU-THA-a358fbdd-3
0.341
BRU-THA-a358fbdd-1
0.341
EDG-MED-fe7487f8-5
0.340
JOH-UNI-04a01eac-1
0.337
EDG-MED-fe7487f8-3
0.333
RAL-THA-6ca1b233-1
0.333
JAG-UCB-c61058a9-35
0.333
RAL-THA-f8a0f917-2
0.333
RAL-THA-5ed3c24e-2
0.333
EDJ-MED-fb79a796-1
0.330
RAL-THA-6ca1b233-4
0.330
EDG-MED-fe7487f8-11
0.330
EDG-MED-fe7487f8-10
0.330
JAN-GHE-f4ca5a00-4
0.330
JOH-UNI-9ad7e798-1
0.330
ERI-UCB-9c7ec71b-1
0.330
EDG-MED-fe7487f8-4
0.330
RAL-THA-5ed3c24e-1
0.330
JAG-UCB-c61058a9-31
0.326
RAL-THA-f8a0f917-1
0.326
NAU-LAT-356bd3c2-8
0.326
MIC-UNK-4ce148f7-2
0.324
JAN-GHE-299e5c7e-4
0.323
EDG-MED-fe7487f8-7
0.320
ERI-UCB-9c7ec71b-4
0.319
EDJ-MED-fb79a796-2
0.317
JAG-UCB-c61058a9-37
0.317
EDG-MED-fe7487f8-6
0.316
BRU-THA-a358fbdd-4
0.316
MIK-NEW-9ae4bfeb-1
0.316
RAL-THA-f8a0f917-3
0.316
MIK-NEW-7f99bfc4-1
0.316
JOH-UNI-766085ab-1
0.316
ANT-OPE-66a89c65-2
0.315
JAN-GHE-299e5c7e-5
0.310
MAT-POS-e478a234-1
0.309
BAR-COM-ace1b61b-1
0.309
JAN-GHE-299e5c7e-1
0.309
MIC-UNK-deda7a44-2
0.308
JAN-GHE-299e5c7e-2
0.307
BAR-COM-ace1b61b-3
0.307
JAG-UCB-c61058a9-38
0.307
MIC-UNK-4ce148f7-4
0.306
EDG-MED-fe7487f8-13
0.304
JAR-IMP-ed466bb3-3
0.301
MIC-UNK-deda7a44-8
0.301
BAR-COM-ace1b61b-4
0.300
ADA-UCB-b1b30a00-7
0.300
ROB-UNI-569bc02e-1
0.300