Molecular Properties | |
SMILES: | Cc1c(Cl)ccc2c1C(C(=O)Nc1nncn1C1CC1)CCO2 |
MW: | 332.1 |
Fraction sp3: | 0.44 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.04 |
cLogP: | 3.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
RAL-THA-f8a0f917-1
0.714
JOH-UNI-04a01eac-1
0.705
JAG-UCB-119787ef-1
0.571
MAT-POS-968e8d9c-1
0.571
JAG-UCB-a3ef7265-20
0.571
EDG-MED-a20b5824-1
0.571
JOH-UNI-d0d90dc1-1
0.570
EDJ-MED-0e996074-1
0.524
EDJ-MED-2c295496-1
0.524
JAG-UCB-c61058a9-34
0.523
RAL-THA-6ca1b233-2
0.523
ERI-UCB-9c7ec71b-4
0.523
BRU-THA-a358fbdd-3
0.517
RAL-THA-6ca1b233-3
0.517
JAG-UCB-c61058a9-17
0.517
EDG-MED-4b32601a-2
0.517
ANT-OPE-3d7cb11b-3
0.517
EDG-MED-fe7487f8-1
0.517
RAL-THA-05e671eb-29
0.511
EDJ-MED-e4b030d8-8
0.511
RAL-THA-6ca1b233-1
0.506
EDG-MED-fe7487f8-3
0.506
RAL-THA-6ca1b233-4
0.500
ROB-UNI-569bc02e-1
0.489
ADA-UCB-b1b30a00-7
0.489
EDG-MED-fe7487f8-8
0.489
JAG-UCB-c61058a9-35
0.484
MIC-UNK-deda7a44-5
0.483
JAG-UCB-c61058a9-18
0.483
NAU-LAT-8502cac5-2
0.483
JAG-UCB-c61058a9-37
0.474
ERI-UCB-a38d41be-1
0.473
BRU-THA-a358fbdd-7
0.471
ANT-OPE-3d7cb11b-4
0.467
MAT-POS-e478a234-1
0.457
JOH-UNI-04a01eac-3
0.447
BAR-COM-ace1b61b-4
0.443
BAR-COM-ace1b61b-1
0.442
JOH-UNI-d0d90dc1-3
0.441
ANT-OPE-06da2058-1
0.440
ANT-OPE-66a89c65-2
0.440
BAR-COM-ace1b61b-2
0.439
RAL-THA-f8a0f917-3
0.436
EDG-MED-fe7487f8-11
0.436
MIK-NEW-7f99bfc4-1
0.436
JAG-UCB-c61058a9-40
0.436
ALP-POS-beec22ab-1
0.436
ADA-UCB-b1b30a00-10
0.436
JAG-UCB-c61058a9-39
0.436
BAR-COM-df4db19c-1
0.436
JAG-UCB-c61058a9-21
0.435
JAG-UCB-c61058a9-19
0.433
JOH-UNI-d0d90dc1-4
0.433
BRU-THA-a358fbdd-5
0.424
JOH-UNI-9ad7e798-1
0.424
ERI-UCB-9c7ec71b-1
0.424
NAU-LAT-8502cac5-5
0.424
JAN-GHE-f4ca5a00-4
0.424
JAG-UCB-c61058a9-15
0.422
EDG-MED-fe7487f8-2
0.421
EDG-MED-4b32601a-1
0.421
BAR-COM-ace1b61b-3
0.420
JAG-UCB-c61058a9-32
0.414
JAN-GHE-299e5c7e-4
0.410
JAN-GHE-299e5c7e-3
0.407
JAG-UCB-c61058a9-12
0.406
NAU-LAT-8502cac5-3
0.404
RAL-THA-5ed3c24e-3
0.404
RAL-THA-b74298ba-1
0.398
JAN-GHE-299e5c7e-5
0.396
RAL-THA-5ed3c24e-2
0.396
RAL-THA-5ed3c24e-1
0.394
EDG-MED-fe7487f8-4
0.394
JAG-UCB-c61058a9-38
0.392
EDG-MED-fe7487f8-6
0.392
MIK-NEW-9ae4bfeb-1
0.392
BRU-THA-a358fbdd-4
0.392
RAL-THA-b74298ba-3
0.389
BRU-THA-a358fbdd-6
0.389
EDG-MED-fe7487f8-9
0.389
NAU-LAT-8502cac5-4
0.386
ANT-OPE-7b52af4b-1
0.385
EDG-MED-fe7487f8-10
0.379
JOH-UNI-766085ab-1
0.378
RAL-THA-b74298ba-2
0.378
NAU-LAT-8502cac5-8
0.376
RAL-THA-04c5403f-2
0.376
MAT-UCB-70f7c0f7-6
0.376
EDG-MED-fe7487f8-5
0.374
ANT-OPE-66a89c65-1
0.372
JAG-UCB-c61058a9-44
0.367
EDG-MED-fe7487f8-7
0.366
BRU-THA-a358fbdd-2
0.365
EDJ-MED-fb79a796-1
0.362
RAL-THA-05e671eb-31
0.362
EDJ-MED-fb79a796-2
0.362
NAU-LAT-8502cac5-11
0.361
BRU-THA-a358fbdd-1
0.361
NAU-LAT-e1818702-3
0.359
RAL-THA-b74298ba-4
0.356