Molecular Properties | |
SMILES: | O=C(Nc1nncn1C1CCCC1)C1CCOc2ccccc21 |
MW: | 312.16 |
Fraction sp3: | 0.47 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.04 |
cLogP: | 2.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-0e996074-1
0.881
EDJ-MED-2c295496-1
0.881
ANT-OPE-66a89c65-2
0.792
ANT-OPE-06da2058-1
0.720
ANT-OPE-66a89c65-1
0.628
ANT-OPE-3d7cb11b-1
0.610
ERI-UCB-9c7ec71b-4
0.610
JAG-UCB-c61058a9-34
0.573
EDG-MED-fe7487f8-3
0.571
MAT-POS-968e8d9c-1
0.566
RAL-THA-6ca1b233-3
0.566
BRU-THA-a358fbdd-3
0.566
JAG-UCB-119787ef-1
0.566
EDG-MED-a20b5824-1
0.566
JAG-UCB-c61058a9-17
0.566
JAG-UCB-a3ef7265-20
0.566
RAL-THA-6ca1b233-2
0.553
RAL-THA-6ca1b233-1
0.553
EDG-MED-fe7487f8-1
0.547
RAL-THA-6ca1b233-4
0.547
ANT-OPE-3d7cb11b-3
0.547
EDG-MED-4b32601a-2
0.547
BRU-THA-a358fbdd-7
0.537
JAG-UCB-c61058a9-35
0.528
BRU-THA-a358fbdd-5
0.518
NAU-LAT-8502cac5-5
0.518
EDG-MED-fe7487f8-8
0.517
NAU-LAT-8502cac5-7
0.517
ADA-UCB-b1b30a00-7
0.516
ROB-UNI-569bc02e-1
0.516
JAG-UCB-c61058a9-37
0.516
NAU-LAT-8502cac5-1
0.500
ERI-UCB-a38d41be-1
0.500
ANT-OPE-7b52af4b-1
0.494
NAU-LAT-8502cac5-9
0.489
NAU-LAT-8502cac5-4
0.481
RAL-THA-f8a0f917-2
0.467
JOH-UNI-d0d90dc1-3
0.467
NAU-LAT-8502cac5-8
0.465
RAL-THA-f8a0f917-1
0.461
JAG-UCB-c61058a9-21
0.461
ANT-OPE-3d7cb11b-2
0.460
JOH-UNI-04a01eac-1
0.456
RAL-THA-05e671eb-1
0.444
BAR-COM-ace1b61b-1
0.436
MAT-POS-e478a234-1
0.436
BAR-COM-ace1b61b-2
0.433
ROB-UNI-afd54964-1
0.432
BAR-COM-df4db19c-1
0.430
ADA-UCB-b1b30a00-10
0.430
JAG-UCB-c61058a9-40
0.430
ALP-POS-beec22ab-1
0.430
MIC-UNK-deda7a44-5
0.427
JAG-UCB-c61058a9-19
0.427
NAU-LAT-8502cac5-2
0.427
JAG-UCB-c61058a9-18
0.427
BAR-COM-ace1b61b-4
0.423
JAG-UCB-c61058a9-32
0.423
JAG-UCB-c61058a9-15
0.416
BAR-COM-ace1b61b-3
0.414
RAL-THA-b74298ba-3
0.413
EDG-MED-fe7487f8-9
0.413
RAL-THA-b74298ba-1
0.407
RAL-THA-5ed3c24e-1
0.402
JAG-UCB-c61058a9-39
0.402
JAN-GHE-299e5c7e-3
0.400
MAT-UCB-70f7c0f7-6
0.398
RAL-THA-04c5403f-2
0.398
NAU-LAT-8502cac5-11
0.398
TAT-ENA-80bfd3e5-3
0.394
RAL-THA-b74298ba-4
0.392
BRU-THA-a358fbdd-2
0.387
EDG-MED-fe7487f8-4
0.387
RAL-THA-b74298ba-2
0.385
JAG-UCB-c61058a9-16
0.385
BRU-THA-a358fbdd-6
0.383
BRU-THA-a358fbdd-1
0.383
JAN-GHE-f4ca5a00-4
0.372
ERI-UCB-9c7ec71b-1
0.372
JOH-UNI-9ad7e798-1
0.372
RAL-THA-f8a0f917-3
0.371
JOH-UNI-d0d90dc1-1
0.371
MIK-NEW-7f99bfc4-1
0.371
EDG-MED-fe7487f8-11
0.371
RAL-THA-5ed3c24e-3
0.368
EDG-MED-fe7487f8-5
0.367
JAN-GHE-299e5c7e-4
0.363
MAK-UNK-3875bbc8-3
0.361
RAL-THA-5ed3c24e-2
0.361
JAG-UCB-c61058a9-38
0.359
EDG-MED-fe7487f8-10
0.358
EDG-MED-4b32601a-1
0.357
EDG-MED-fe7487f8-2
0.357
JAG-UCB-c61058a9-12
0.357
JAG-UCB-c61058a9-44
0.347
ANT-OPE-bf404da3-1
0.341
NAU-LAT-8502cac5-3
0.340
MIC-UNK-deda7a44-6
0.340
ROB-UNI-569bc02e-7
0.340
PET-UNK-3e029fdc-1
0.337