Molecular Properties | |
SMILES: | CN1CC(C(=O)Nc2nncn2C2CC2)c2cc(Cl)ccc2C1=O |
MW: | 345.1 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 80.12 |
cLogP: | 2.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
EDJ-MED-fb79a796-2
0.663
RAL-THA-5ed3c24e-3
0.590
EDJ-MED-fb79a796-1
0.538
EDJ-MED-eb111c00-1
0.527
MIC-UNK-91acba05-2
0.527
JAN-GHE-299e5c7e-3
0.524
RAL-THA-5ed3c24e-1
0.523
JAG-UCB-c61058a9-18
0.518
MIC-UNK-deda7a44-5
0.518
NAU-LAT-8502cac5-2
0.518
RAL-THA-f8a0f917-3
0.517
MIK-NEW-7f99bfc4-1
0.517
EDG-MED-fe7487f8-4
0.506
MAT-POS-968e8d9c-1
0.500
JAG-UCB-a3ef7265-20
0.500
JAG-UCB-119787ef-1
0.500
PET-UNK-fe31e24a-6
0.495
EDG-MED-fe7487f8-5
0.495
PET-UNK-fe31e24a-5
0.490
EDG-MED-fe7487f8-11
0.484
EDJ-MED-fb79a796-3
0.480
PET-UNK-e9bc7c59-4
0.462
ERI-UCB-9c7ec71b-4
0.457
EDG-MED-fe7487f8-10
0.456
PET-UNK-e9bc7c59-5
0.452
EDG-MED-fe7487f8-2
0.452
EDG-MED-4b32601a-1
0.452
PET-UNK-e9bc7c59-6
0.443
MAT-POS-e478a234-1
0.442
JAN-GHE-299e5c7e-5
0.439
NAU-LAT-8502cac5-3
0.435
ROB-UNI-569bc02e-1
0.429
BAR-COM-ace1b61b-4
0.429
ADA-UCB-b1b30a00-7
0.429
BAR-COM-ace1b61b-1
0.427
EDG-MED-fe7487f8-8
0.426
JAN-GHE-299e5c7e-4
0.424
BAR-COM-ace1b61b-2
0.424
NAU-LAT-e1818702-3
0.420
EDG-MED-a20b5824-1
0.419
JAG-UCB-c61058a9-19
0.418
ANT-OPE-7b52af4b-1
0.416
ERI-UCB-a38d41be-1
0.412
JAG-UCB-c61058a9-34
0.409
BRU-THA-a358fbdd-5
0.409
NAU-LAT-8502cac5-5
0.409
JAG-UCB-c61058a9-39
0.408
NAU-LAT-8502cac5-8
0.407
EDJ-MED-2c295496-1
0.407
BRU-THA-a358fbdd-7
0.407
EDJ-MED-0e996074-1
0.407
BAR-COM-ace1b61b-3
0.406
BRU-THA-a358fbdd-3
0.404
JAG-UCB-c61058a9-17
0.404
RAL-THA-6ca1b233-1
0.396
RAL-THA-6ca1b233-2
0.396
RAL-THA-f8a0f917-2
0.396
BAR-COM-df4db19c-1
0.394
ALP-POS-beec22ab-1
0.394
JAG-UCB-c61058a9-40
0.394
ADA-UCB-b1b30a00-10
0.394
ANT-OPE-06da2058-1
0.394
JAG-UCB-c61058a9-38
0.392
ANT-OPE-3d7cb11b-3
0.392
EDG-MED-4b32601a-2
0.392
EDG-MED-fe7487f8-1
0.392
JAN-GHE-f4ca5a00-12
0.391
NAU-LAT-e1818702-1
0.391
RAL-THA-f8a0f917-1
0.389
RAL-THA-6ca1b233-3
0.389
BRU-CON-67e07230-1
0.389
NAU-LAT-e1818702-2
0.389
NAU-LAT-8502cac5-4
0.386
JOH-UNI-04a01eac-1
0.385
EDG-MED-fe7487f8-3
0.381
JOH-UNI-d0d90dc1-3
0.381
JOH-UNI-9ad7e798-1
0.379
ERI-UCB-9c7ec71b-1
0.379
JAN-GHE-f4ca5a00-4
0.379
JAN-GHE-f4ca5a00-11
0.379
JAN-GHE-f4ca5a00-6
0.378
RAL-THA-6ca1b233-4
0.378
JAG-UCB-c61058a9-15
0.376
EDJ-MED-eb111c00-2
0.376
PET-UNK-f860268d-2
0.375
PET-UNK-f860268d-5
0.375
JAG-UCB-c61058a9-21
0.375
EDJ-MED-eb111c00-4
0.374
NAU-LAT-e1818702-4
0.374
ALP-POS-b3e0acc5-1
0.373
PET-UNK-4d432d33-2
0.371
EDJ-MED-0047eae5-1
0.371
EDJ-MED-eb111c00-3
0.371
PET-UNK-4d432d33-6
0.371
NAU-LAT-e1818702-5
0.368
ADA-UCB-b1b30a00-9
0.368
EDJ-MED-12c4873b-8
0.367
EDJ-MED-43f8f7d6-8
0.367
RAL-THA-8f106089-1
0.367
RAL-THA-8f106089-2
0.367