Molecular Properties | |
SMILES: | O=C(Nc1nncn1C1CC1)C1COc2ccc(Cl)cc2C1 |
MW: | 318.09 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.04 |
cLogP: | 2.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2077721971 |
AAR-POS-d2a4d1df-1
NAU-LAT-8502cac5-2
0.549
MIC-UNK-deda7a44-5
0.549
JAG-UCB-c61058a9-18
0.549
EDJ-MED-e4b030d8-12
0.517
MAT-POS-8e4737f4-2
0.517
JAG-UCB-c61058a9-8
0.512
EDG-MED-fe7487f8-2
0.511
EDG-MED-4b32601a-1
0.511
MAT-POS-968e8d9c-1
0.494
JAG-UCB-119787ef-1
0.494
JAG-UCB-a3ef7265-20
0.494
UNK-UNK-2ede4078-71
0.489
UNK-UNK-2ede4078-26
0.489
ERI-UCB-9c7ec71b-1
0.483
JAN-GHE-f4ca5a00-4
0.483
JOH-UNI-9ad7e798-1
0.483
JAN-GHE-299e5c7e-4
0.479
JAN-GHE-299e5c7e-5
0.479
RAL-THA-f8a0f917-3
0.478
MIK-NEW-7f99bfc4-1
0.478
UNK-UNK-2ede4078-25
0.473
KRI-MAR-d2e3ef86-19
0.473
EDG-MED-fe7487f8-10
0.466
UNK-UNK-2ede4078-27
0.463
EDG-MED-fe7487f8-11
0.462
JAG-UCB-c61058a9-4
0.462
JAG-UCB-c61058a9-19
0.460
JAN-GHE-299e5c7e-1
0.452
ERI-UCB-9c7ec71b-4
0.451
RAL-THA-5ed3c24e-1
0.449
JAN-GHE-299e5c7e-3
0.448
NAU-LAT-e1818702-3
0.447
JAG-UCB-c61058a9-12
0.446
EDG-MED-fe7487f8-6
0.446
MIK-NEW-9ae4bfeb-1
0.446
BRU-THA-a358fbdd-4
0.446
EDG-MED-fe7487f8-8
0.435
RAL-THA-5ed3c24e-2
0.435
JOH-UNI-766085ab-1
0.430
RAL-THA-5ed3c24e-3
0.429
RAL-THA-f8a0f917-1
0.429
JAN-GHE-299e5c7e-2
0.429
ADA-UCB-b1b30a00-7
0.423
ROB-UNI-569bc02e-1
0.423
UNK-UNK-2ede4078-65
0.419
EDG-MED-fe7487f8-4
0.418
NAU-LAT-e1818702-1
0.417
EDG-MED-fe7487f8-7
0.417
JAN-GHE-f4ca5a00-12
0.417
JAG-UCB-c61058a9-15
0.416
NAU-LAT-e1818702-2
0.414
JAG-UCB-c61058a9-17
0.413
BRU-THA-a358fbdd-3
0.413
EDJ-MED-fb79a796-2
0.410
JOH-UNI-04a01eac-1
0.409
BAR-COM-ace1b61b-1
0.406
ERI-UCB-a38d41be-1
0.406
PAU-WIS-d4065696-3
0.406
RAL-THA-6ca1b233-1
0.404
RAL-THA-f8a0f917-2
0.404
JAN-GHE-f4ca5a00-11
0.402
JAG-UCB-c61058a9-34
0.402
MIC-UNK-4ce148f7-2
0.402
JAG-UCB-c61058a9-38
0.400
EDG-MED-a20b5824-1
0.398
RAL-THA-6ca1b233-3
0.398
EDJ-MED-fb79a796-1
0.396
EDG-MED-fe7487f8-5
0.396
NAU-LAT-8502cac5-4
0.395
MAT-POS-e478a234-1
0.392
NAU-LAT-e1818702-5
0.391
RAL-THA-6ca1b233-2
0.389
EDG-MED-fe7487f8-3
0.389
MIC-UNK-4ce148f7-3
0.388
ANT-OPE-06da2058-1
0.387
BAR-COM-ace1b61b-3
0.386
ANT-OPE-3d7cb11b-3
0.385
EDG-MED-4b32601a-2
0.385
EDG-MED-fe7487f8-1
0.385
RAL-THA-6ca1b233-4
0.385
EDJ-MED-0e996074-1
0.385
BRU-THA-a358fbdd-7
0.385
NAU-LAT-e1818702-6
0.385
EDJ-MED-2c295496-1
0.385
MIC-UNK-deda7a44-2
0.383
BRU-CON-67e07230-1
0.382
NAU-LAT-e1818702-4
0.382
ANT-OPE-7b52af4b-1
0.378
EDJ-MED-fb79a796-3
0.377
MIC-UNK-4ce148f7-1
0.377
EDG-MED-fe7487f8-13
0.376
JAG-UCB-c61058a9-40
0.375
BAR-COM-df4db19c-1
0.375
ALP-POS-beec22ab-1
0.375
ADA-UCB-b1b30a00-10
0.375
JAG-UCB-c61058a9-39
0.375
JOH-UNI-d0d90dc1-3
0.375
JAG-UCB-c61058a9-35
0.374
BRU-THA-a358fbdd-5
0.372
NAU-LAT-8502cac5-5
0.372