Molecular Properties | |
SMILES: | CS(=O)(=O)Nc1cc(Cl)cc2c1OCC[C@H]2C(=O)Nc1nncn1C1CC1 |
MW: | 411.08 |
Fraction sp3: | 0.44 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 115.21 |
cLogP: | 2.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-e478a234-1
0.644
BAR-COM-ace1b61b-1
0.644
BAR-COM-ace1b61b-2
0.615
BAR-COM-ace1b61b-3
0.591
BAR-COM-df4db19c-1
0.589
ALP-POS-beec22ab-1
0.589
ADA-UCB-b1b30a00-10
0.589
JAG-UCB-c61058a9-39
0.589
JAG-UCB-c61058a9-40
0.589
BRU-THA-a358fbdd-7
0.540
JAG-UCB-119787ef-1
0.533
JAG-UCB-a3ef7265-20
0.533
MAT-POS-968e8d9c-1
0.533
RAL-THA-6ca1b233-1
0.489
ERI-UCB-9c7ec71b-4
0.489
RAL-THA-6ca1b233-2
0.489
JAG-UCB-c61058a9-34
0.489
ANT-OPE-3d7cb11b-3
0.484
EDG-MED-4b32601a-2
0.484
EDG-MED-fe7487f8-1
0.484
EDG-MED-a20b5824-1
0.484
JAG-UCB-c61058a9-17
0.484
BRU-THA-a358fbdd-3
0.484
ADA-UCB-b1b30a00-7
0.475
ROB-UNI-569bc02e-1
0.475
JAN-GHE-299e5c7e-3
0.473
EDJ-MED-2c295496-1
0.473
EDJ-MED-0e996074-1
0.473
RAL-THA-6ca1b233-3
0.468
JAG-UCB-c61058a9-38
0.465
EDG-MED-fe7487f8-3
0.458
EDG-MED-fe7487f8-8
0.458
EDG-MED-fe7487f8-4
0.457
RAL-THA-6ca1b233-4
0.454
JAG-UCB-c61058a9-18
0.452
MIC-UNK-deda7a44-5
0.452
NAU-LAT-8502cac5-2
0.452
ERI-UCB-a38d41be-1
0.444
RAL-THA-f8a0f917-2
0.443
RAL-THA-5ed3c24e-1
0.442
JAG-UCB-c61058a9-35
0.440
RAL-THA-f8a0f917-3
0.439
MIK-NEW-7f99bfc4-1
0.439
RAL-THA-5ed3c24e-2
0.429
ANT-OPE-06da2058-1
0.427
EDG-MED-fe7487f8-11
0.424
ANT-OPE-3d7cb11b-4
0.423
JAG-UCB-c61058a9-21
0.423
RAL-THA-f8a0f917-1
0.423
EDG-MED-fe7487f8-5
0.420
JAG-UCB-c61058a9-37
0.419
JOH-UNI-04a01eac-1
0.418
JOH-UNI-d0d90dc1-3
0.414
EDG-MED-fe7487f8-10
0.412
RAL-THA-5ed3c24e-3
0.408
JAG-UCB-c61058a9-19
0.406
ANT-OPE-7b52af4b-1
0.404
ANT-OPE-66a89c65-2
0.398
BRU-THA-a358fbdd-5
0.398
NAU-LAT-8502cac5-5
0.398
EDG-MED-fe7487f8-2
0.396
EDG-MED-4b32601a-1
0.396
EDJ-MED-fb79a796-2
0.393
JAG-UCB-c61058a9-32
0.390
JAN-GHE-299e5c7e-4
0.387
JAN-GHE-f4ca5a00-6
0.383
NAU-LAT-8502cac5-8
0.381
EDJ-MED-fb79a796-1
0.380
EDJ-MED-fb79a796-3
0.375
JAN-GHE-299e5c7e-5
0.374
RAL-THA-b74298ba-1
0.374
EDG-MED-fe7487f8-6
0.369
MIK-NEW-9ae4bfeb-1
0.369
BRU-THA-a358fbdd-4
0.369
JAG-UCB-c61058a9-15
0.367
RAL-THA-b74298ba-3
0.366
EDG-MED-fe7487f8-9
0.366
NAU-LAT-8502cac5-3
0.366
JAN-GHE-f4ca5a00-12
0.366
NAU-LAT-e1818702-1
0.366
ERI-UCB-9c7ec71b-1
0.356
JAN-GHE-f4ca5a00-4
0.356
JOH-UNI-9ad7e798-1
0.356
RAL-THA-b74298ba-2
0.356
JAG-UCB-c61058a9-12
0.356
EDG-MED-fe7487f8-14
0.353
RAL-THA-05e671eb-18
0.352
LAU-MED-88a3970a-10
0.351
LAU-MED-88a3970a-9
0.351
NAU-LAT-e1818702-3
0.351
LAU-MED-88a3970a-13
0.348
LAU-MED-88a3970a-14
0.348
NAU-LAT-8502cac5-4
0.347
JOH-UNI-766085ab-1
0.343
NAU-LAT-8502cac5-11
0.340
RAL-THA-05e671eb-17
0.339
DAR-DIA-23e5a6a0-20
0.339
LAU-MED-88a3970a-17
0.339
LAU-MED-88a3970a-18
0.339
BRU-CON-67e07230-1
0.337