Molecular Properties | |
SMILES: | O=C(Nc1nncn1C1CC1)C1CCOc2ccc(Cl)c(Cl)c21 |
MW: | 352.05 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.04 |
cLogP: | 3.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
JOH-UNI-04a01eac-1
0.724
RAL-THA-f8a0f917-2
0.714
JOH-UNI-d0d90dc1-1
0.583
JAG-UCB-a3ef7265-20
0.548
JAG-UCB-119787ef-1
0.548
MAT-POS-968e8d9c-1
0.548
EDG-MED-a20b5824-1
0.529
EDJ-MED-0e996074-1
0.518
EDJ-MED-2c295496-1
0.518
JAG-UCB-c61058a9-34
0.518
RAL-THA-6ca1b233-3
0.512
JAG-UCB-c61058a9-17
0.512
BRU-THA-a358fbdd-3
0.512
EDG-MED-fe7487f8-3
0.500
RAL-THA-6ca1b233-2
0.500
ERI-UCB-9c7ec71b-4
0.500
RAL-THA-6ca1b233-1
0.500
RAL-THA-05e671eb-27
0.495
EDJ-MED-e4b030d8-10
0.495
EDG-MED-fe7487f8-1
0.494
RAL-THA-6ca1b233-4
0.494
ANT-OPE-3d7cb11b-3
0.494
EDG-MED-4b32601a-2
0.494
JAG-UCB-c61058a9-35
0.478
MIC-UNK-deda7a44-5
0.477
NAU-LAT-8502cac5-2
0.477
JAG-UCB-c61058a9-18
0.477
JAG-UCB-c61058a9-37
0.469
ADA-UCB-b1b30a00-7
0.468
ROB-UNI-569bc02e-1
0.468
EDG-MED-fe7487f8-8
0.467
BRU-THA-a358fbdd-7
0.465
ANT-OPE-3d7cb11b-4
0.461
ERI-UCB-a38d41be-1
0.452
ANT-OPE-06da2058-1
0.449
JAG-UCB-c61058a9-19
0.443
JOH-UNI-04a01eac-3
0.441
MAT-POS-e478a234-1
0.436
BAR-COM-ace1b61b-1
0.436
JAN-GHE-f4ca5a00-4
0.433
ERI-UCB-9c7ec71b-1
0.433
ANT-OPE-66a89c65-2
0.433
JOH-UNI-9ad7e798-1
0.433
NAU-LAT-8502cac5-8
0.432
RAL-THA-f8a0f917-3
0.430
MIK-NEW-7f99bfc4-1
0.430
EDG-MED-fe7487f8-11
0.430
RAL-THA-5ed3c24e-3
0.429
NAU-LAT-8502cac5-3
0.429
BAR-COM-ace1b61b-4
0.423
JOH-UNI-d0d90dc1-3
0.419
BAR-COM-ace1b61b-2
0.418
NAU-LAT-8502cac5-5
0.418
RAL-THA-5ed3c24e-1
0.418
BRU-THA-a358fbdd-5
0.418
BAR-COM-df4db19c-1
0.416
ADA-UCB-b1b30a00-10
0.416
JAG-UCB-c61058a9-40
0.416
ALP-POS-beec22ab-1
0.416
JAG-UCB-c61058a9-39
0.416
JAN-GHE-299e5c7e-3
0.416
BAR-COM-ace1b61b-3
0.414
JAG-UCB-c61058a9-21
0.413
JOH-UNI-d0d90dc1-4
0.412
NAU-LAT-8502cac5-4
0.412
ANT-OPE-7b52af4b-1
0.409
EDG-MED-fe7487f8-4
0.402
EDG-MED-fe7487f8-2
0.400
EDG-MED-4b32601a-1
0.400
JAG-UCB-c61058a9-12
0.400
JAG-UCB-c61058a9-15
0.400
EDG-MED-fe7487f8-5
0.396
JAN-GHE-299e5c7e-4
0.390
RAL-THA-5ed3c24e-2
0.389
EDG-MED-fe7487f8-7
0.388
EDG-MED-fe7487f8-10
0.387
JAG-UCB-c61058a9-38
0.386
BRU-THA-a358fbdd-4
0.385
MIK-NEW-9ae4bfeb-1
0.385
JOH-UNI-766085ab-1
0.385
EDG-MED-fe7487f8-6
0.385
JUL-TUD-06b2044f-87
0.381
JAG-UCB-c61058a9-32
0.380
JAN-GHE-299e5c7e-5
0.376
BRU-THA-a358fbdd-1
0.368
BRU-THA-a358fbdd-6
0.368
MIC-UNK-deda7a44-1
0.367
ADA-UCB-b1b30a00-5
0.367
NAU-LAT-e1818702-3
0.367
MIC-UNK-4ce148f7-1
0.364
MIC-UNK-4ce148f7-2
0.362
MIC-UNK-4ce148f7-3
0.362
NAU-LAT-e1818702-5
0.362
RAL-THA-b74298ba-1
0.362
MIC-UNK-deda7a44-8
0.360
BRU-THA-a358fbdd-2
0.358
MIC-UNK-deda7a44-2
0.358
MIC-UNK-deda7a44-3
0.358
RAL-THA-04c5403f-2
0.356
MAT-UCB-70f7c0f7-6
0.356