Molecular Properties | |
SMILES: | O=C(Nc1nncn1C1CC1)C1c2ccccc2Oc2ccccc21 |
MW: | 332.13 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.04 |
cLogP: | 3.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2077727537 |
Dye 11
AAR-POS-d2a4d1df-1
EDJ-MED-2c295496-1
0.547
EDJ-MED-0e996074-1
0.547
ANT-OPE-06da2058-1
0.526
BRU-THA-a358fbdd-5
0.526
NAU-LAT-8502cac5-5
0.526
JAG-UCB-c61058a9-15
0.487
ANT-OPE-3d7cb11b-4
0.481
ANT-OPE-7b52af4b-1
0.481
NAU-LAT-8502cac5-8
0.468
MAR-TRE-f6f5f473-78
0.458
ANT-OPE-66a89c65-2
0.451
BRU-THA-a358fbdd-7
0.450
RAL-THA-6ca1b233-4
0.430
NAU-LAT-8502cac5-2
0.427
MIC-UNK-deda7a44-5
0.427
JAG-UCB-c61058a9-18
0.427
JAG-UCB-c61058a9-19
0.427
EDG-MED-fe7487f8-3
0.419
JAG-UCB-c61058a9-34
0.417
BRU-THA-a358fbdd-2
0.417
JAN-GHE-299e5c7e-3
0.415
MIK-NEW-7f99bfc4-1
0.414
EDG-MED-fe7487f8-11
0.414
RAL-THA-f8a0f917-3
0.414
JAG-UCB-119787ef-1
0.412
RAL-THA-6ca1b233-3
0.412
JAG-UCB-a3ef7265-20
0.412
RAL-THA-5ed3c24e-3
0.412
BRU-THA-a358fbdd-1
0.412
MAT-POS-968e8d9c-1
0.412
RAL-THA-f8a0f917-1
0.412
EDG-MED-a20b5824-1
0.412
JAG-UCB-c61058a9-17
0.412
BRU-THA-a358fbdd-3
0.412
BRU-THA-a358fbdd-6
0.412
RAL-THA-6ca1b233-2
0.402
RAL-THA-6ca1b233-1
0.402
EDG-MED-fe7487f8-10
0.400
EDG-MED-4b32601a-1
0.398
ANT-OPE-3d7cb11b-3
0.398
EDG-MED-4b32601a-2
0.398
EDG-MED-fe7487f8-1
0.398
EDG-MED-fe7487f8-2
0.398
NAU-LAT-8502cac5-3
0.395
NAU-LAT-e1818702-3
0.395
JOH-UNI-04a01eac-1
0.391
ADA-UCB-b1b30a00-9
0.388
RAL-THA-5ed3c24e-2
0.386
RAL-THA-f8a0f917-2
0.386
JAG-UCB-c61058a9-35
0.385
EDG-MED-fe7487f8-4
0.384
RAL-THA-5ed3c24e-1
0.384
ANT-OPE-bf404da3-1
0.383
JAN-GHE-f4ca5a00-12
0.380
NAU-LAT-e1818702-1
0.380
NAU-LAT-e1818702-4
0.378
JAN-GHE-299e5c7e-4
0.372
JAN-GHE-299e5c7e-5
0.372
ERI-UCB-9c7ec71b-4
0.371
JAN-GHE-f4ca5a00-6
0.366
JAG-UCB-c61058a9-37
0.365
EDG-MED-fe7487f8-5
0.363
NAU-LAT-e1818702-2
0.361
BRU-CON-67e07230-1
0.361
BAR-COM-ace1b61b-1
0.359
MAT-POS-e478a234-1
0.359
NAU-LAT-e1818702-5
0.356
BAR-COM-ace1b61b-3
0.354
JAN-GHE-f4ca5a00-11
0.352
ERI-UCB-9c7ec71b-1
0.352
JAN-GHE-f4ca5a00-4
0.352
JOH-UNI-9ad7e798-1
0.352
EDJ-MED-fb79a796-1
0.351
NAU-LAT-e1818702-6
0.349
JAG-UCB-c61058a9-8
0.348
JAG-UCB-c61058a9-31
0.348
ADA-UCB-b1b30a00-7
0.347
ROB-UNI-569bc02e-1
0.347
BAR-COM-ace1b61b-4
0.347
ANT-OPE-66a89c65-1
0.345
BAR-COM-ace1b61b-2
0.344
JAG-UCB-a3ef7265-19
0.341
ANT-OPE-3d7cb11b-1
0.341
EDG-MED-fe7487f8-8
0.341
EDG-MED-fe7487f8-7
0.340
JAG-UCB-c61058a9-38
0.340
JAG-UCB-c61058a9-12
0.337
EDG-MED-fe7487f8-6
0.337
MIK-NEW-9ae4bfeb-1
0.337
BRU-THA-a358fbdd-4
0.337
JOH-UNI-766085ab-1
0.337
EDJ-MED-fb79a796-2
0.337
MIC-UNK-4ce148f7-2
0.330
JAG-UCB-c61058a9-40
0.330
BAR-COM-df4db19c-1
0.330
ALP-POS-beec22ab-1
0.330
ADA-UCB-b1b30a00-10
0.330
JAG-UCB-c61058a9-39
0.330
JAN-GHE-299e5c7e-1
0.330
ERI-UCB-a38d41be-1
0.330