Molecular Properties | |
SMILES: | COc1ccncc1NC(=O)CN1CCN(C(C)=O)CC1 |
MW: | 292.15 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 74.77 |
cLogP: | 0.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-3c65e9ce-1
0.625
BEN-DND-93268d01-8
0.625
BEN-DND-6de5dfa0-19
0.615
BEN-DND-6de5dfa0-20
0.588
EDJ-MED-3c65e9ce-2
0.571
EDJ-MED-3c65e9ce-3
0.548
BEN-DND-6de5dfa0-24
0.537
BEN-DND-6de5dfa0-6
0.521
BEN-DND-6de5dfa0-23
0.507
ALP-POS-6747fa38-1
0.507
NAU-LAT-a5c7d7cb-1
0.507
NIR-THE-d08c3b48-1
0.507
BEN-DND-6de5dfa0-11
0.507
VLA-UCB-05e51b3f-1
0.507
BEN-DND-09b88bf4-6
0.493
BEN-DND-6de5dfa0-7
0.493
BEN-DND-6de5dfa0-22
0.493
BEN-DND-09b88bf4-8
0.480
NIR-THE-b7e8e081-1
0.479
BEN-DND-09b88bf4-2
0.479
BEN-DND-03406596-7
0.479
BEN-DND-6de5dfa0-1
0.479
NIR-THE-b7e8e081-2
0.473
BEN-DND-6de5dfa0-16
0.473
BAR-COM-0f94fc3d-60
0.469
BAR-COM-0f94fc3d-34
0.459
BEN-DND-93268d01-9
0.457
BEN-DND-09b88bf4-5
0.457
JIN-POS-6dc588a4-3
0.453
BEN-DND-6de5dfa0-18
0.444
BEN-DND-6de5dfa0-2
0.438
BEN-DND-09b88bf4-1
0.438
RED-SAT-26a928c9-1
0.427
ANU-UNK-2781581f-1
0.427
BEN-DND-6de5dfa0-3
0.427
NAU-LAT-3f5f3993-5
0.427
BEN-DND-09b88bf4-3
0.427
BEN-DND-09b88bf4-7
0.424
EDJ-MED-3c65e9ce-4
0.419
BEN-DND-93268d01-11
0.417
BEN-DND-93268d01-10
0.411
BEN-DND-6de5dfa0-14
0.410
BAR-COM-0f94fc3d-23
0.400
BEN-DND-22e6b372-1
0.400
JAN-GHE-1d98ec1c-7
0.397
LON-WEI-b8d98729-4
0.397
BAR-COM-0f94fc3d-44
0.395
BAR-COM-0f94fc3d-54
0.395
MAR-TRE-67513f76-49
0.395
BEN-DND-6de5dfa0-26
0.392
BEN-DND-6de5dfa0-5
0.390
BEN-DND-6de5dfa0-15
0.388
BEN-DND-6de5dfa0-17
0.377
BEN-DND-6de5dfa0-27
0.377
BEN-DND-6de5dfa0-9
0.373
BEN-DND-6de5dfa0-10
0.368
BEN-DND-6de5dfa0-4
0.367
BEN-DND-09b88bf4-4
0.367
BAR-COM-0f94fc3d-45
0.360
MAR-TRE-6a44bbf2-27
0.354
BEN-DND-6de5dfa0-8
0.353
MAR-TRE-67513f76-73
0.342
DAR-DIA-03336633-6
0.340
PET-SGC-fedd1f79-1
0.340
MAK-UNK-902cc841-15
0.337
JIN-POS-6dc588a4-6
0.333
BEN-DND-6de5dfa0-25
0.329
NAU-LAT-3f5f3993-2
0.329
MAR-TRE-6a44bbf2-12
0.329
ALE-HEI-f28a35b5-12
0.329
BEN-DND-22e6b372-2
0.325
BEN-DND-22e6b372-4
0.325
NAU-LAT-3f5f3993-10
0.322
MAK-UNK-6ca90168-26
0.319
MAK-UNK-902cc841-17
0.318
BEN-DND-22e6b372-3
0.317
TAT-ENA-80bfd3e5-30
0.316
MAK-UNK-902cc841-16
0.314
MAR-TRE-d0525fbf-64
0.314
JAN-GHE-fd8d85a5-10
0.312
ISA-SCH-8e98219b-2
0.312
MAT-POS-590ac91e-9
0.312
BEN-DND-6de5dfa0-12
0.308
ASH-SAT-43770c7d-9
0.306
NAU-LAT-a5c7d7cb-3
0.304
VLA-UCB-05e51b3f-2
0.304
MAR-TRE-6a44bbf2-47
0.304
MAK-UNK-902cc841-18
0.303
ANU-UNK-2781581f-2
0.303
ALE-HEI-f28a35b5-17
0.303
SCO-VAN-260d9628-1
0.303
JAN-GHE-83b26c96-11
0.303
ALP-POS-95b75b4d-4
0.302
MAR-TRE-6a44bbf2-3
0.301
MAK-UNK-7264f48c-3
0.301
VLA-UCB-05e51b3f-3
0.299
MAT-POS-590ac91e-6
0.299
BEN-DND-6de5dfa0-13
0.297
MAK-UNK-7264f48c-2
0.297
BEN-DND-93268d01-12
0.297