Molecular Properties | |
SMILES: | CN(C(=O)C1CCOc2ccccc21)c1nncn1C1CC1 |
MW: | 298.14 |
Fraction sp3: | 0.44 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 60.25 |
cLogP: | 2.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ERI-UCB-9c7ec71b-3
0.649
EDJ-MED-0e996074-1
0.500
EDJ-MED-2c295496-1
0.500
MAK-UNK-3875bbc8-3
0.483
ANT-OPE-3d7cb11b-4
0.460
ANT-OPE-66a89c65-2
0.448
ANT-OPE-66a89c65-1
0.442
ANT-OPE-3d7cb11b-1
0.440
PAU-WIS-d4065696-2
0.432
PAU-WIS-d4065696-1
0.426
NAU-LAT-8502cac5-9
0.422
NAU-LAT-8502cac5-7
0.419
ANT-OPE-06da2058-1
0.416
CHE-UNK-3dacc16b-3
0.379
NAU-LAT-8502cac5-1
0.372
RAL-THA-05e671eb-1
0.351
CHE-UNK-1fcbaeee-3
0.346
RAL-THA-6ca1b233-2
0.344
ROB-UNI-afd54964-1
0.343
CHE-UNK-1fcbaeee-5
0.343
CHE-UNK-1fcbaeee-4
0.343
NAU-LAT-8502cac5-5
0.340
BRU-THA-a358fbdd-5
0.340
EDG-MED-a20b5824-1
0.337
TAT-ENA-80bfd3e5-3
0.337
CHE-UNK-1fcbaeee-1
0.336
EDG-MED-fe7487f8-3
0.330
NAU-LAT-8502cac5-4
0.330
JAG-UCB-c61058a9-34
0.326
JAG-UCB-a3ef7265-20
0.323
RAL-THA-6ca1b233-3
0.323
BRU-THA-a358fbdd-3
0.323
JAG-UCB-119787ef-1
0.323
MAT-POS-968e8d9c-1
0.323
JAG-UCB-c61058a9-17
0.323
BRU-THA-a358fbdd-6
0.323
LON-WEI-0a73fcb8-1
0.320
CHE-UNK-1fcbaeee-2
0.319
MAK-UNK-3875bbc8-1
0.317
LON-WEI-0a73fcb8-2
0.316
RAL-THA-6ca1b233-1
0.316
LON-WEI-0a73fcb8-5
0.315
WIL-UCB-7ba4ac3a-2
0.314
MAK-UNK-3875bbc8-2
0.314
EDG-MED-4b32601a-2
0.313
EDG-MED-fe7487f8-1
0.313
ANT-OPE-3d7cb11b-3
0.313
RAL-THA-6ca1b233-4
0.313
BRU-THA-a358fbdd-2
0.312
MAT-POS-162a9720-6
0.305
MAR-TRE-92684b97-45
0.304
JAG-UCB-c61058a9-35
0.304
ERI-UCB-9c7ec71b-4
0.303
EDG-MED-fe7487f8-15
0.299
EDG-MED-fe7487f8-9
0.296
RAL-THA-b74298ba-3
0.296
NAU-LAT-8502cac5-11
0.296
BRU-THA-a358fbdd-7
0.295
PET-UNK-3e029fdc-1
0.293
JAG-UCB-c61058a9-36
0.293
RAL-THA-3d7a794f-1
0.293
RAL-THA-f8a0f917-2
0.290
EDG-MED-fe7487f8-8
0.290
JAG-UCB-c61058a9-37
0.290
RAL-THA-b74298ba-1
0.289
MAT-UCB-70f7c0f7-6
0.288
RAL-THA-04c5403f-2
0.288
MAK-UNK-752736de-5
0.287
ROB-UNI-569bc02e-1
0.286
DAR-DIA-6a508060-14
0.286
ADA-UCB-b1b30a00-7
0.286
MAK-UNK-942dcb71-9
0.284
MAK-UNK-942dcb71-10
0.284
EDG-MED-fe7487f8-14
0.283
JAG-UCB-c61058a9-21
0.283
BRU-THA-a358fbdd-1
0.283
RAL-THA-f8a0f917-1
0.283
ERI-UCB-a38d41be-1
0.282
NAU-LAT-8502cac5-8
0.281
JAG-UCB-52b62a6f-11
0.280
JOH-UNI-04a01eac-1
0.280
RAL-THA-04c5403f-1
0.279
BEN-DND-d1eb1f41-12
0.278
JOH-UNI-d0d90dc1-3
0.277
RAL-THA-b74298ba-2
0.275
JAG-UCB-c61058a9-16
0.275
ANT-OPE-7b52af4b-1
0.274
JAG-UCB-c61058a9-32
0.274
RAL-THA-9041a04d-4
0.274
MAT-POS-a54ce14d-1
0.274
ERI-UCB-9c7ec71b-1
0.273
JAN-GHE-f4ca5a00-4
0.273
JOH-UNI-9ad7e798-1
0.273
MAT-POS-ee5e8e94-1
0.273
EDJ-MED-97c1bf5c-4
0.270
DAR-DIA-6a508060-15
0.270
RAL-THA-b74298ba-4
0.269
JAN-GHE-f4ca5a00-1
0.269
JAG-UCB-c61058a9-20
0.267
JAG-UCB-c61058a9-22
0.267