Molecular Properties | |
SMILES: | CCC[C@](C)(O)CCc1cccc(NC(=O)Nc2cccnc2)c1 |
MW: | 327.428 |
Fraction sp3: | 0.37 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 74.25 |
cLogP: | 4.2093 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-24
0.605
BAR-COM-21d20d65-8
0.584
BAR-COM-21d20d65-9
0.584
BAR-COM-21d20d65-5
0.577
BAR-COM-21d20d65-4
0.564
BAR-COM-21d20d65-2
0.562
BAR-COM-21d20d65-1
0.556
BAR-COM-21d20d65-3
0.550
BAR-COM-21d20d65-7
0.537
WAR-XCH-eb7b662f-6
0.536
WIL-UNI-5578df48-26
0.526
WIL-UNI-5578df48-21
0.514
WIL-UNI-5578df48-28
0.513
WIL-UNI-5578df48-19
0.506
WIL-UNI-5578df48-27
0.500
SAD-SAT-135344c3-7
0.494
DAR-DIA-23aa0b97-14
0.493
JOR-UNI-2fc98d0b-7
0.493
JAN-GHE-83b26c96-19
0.493
WAR-XCH-eb7b662f-7
0.493
WIL-UNI-5578df48-22
0.487
WIL-UNI-5578df48-25
0.482
WIL-UNI-5578df48-29
0.471
WIL-UNI-5578df48-30
0.471
MAK-UNK-30aad1f1-6
0.461
WAR-XCH-eb7b662f-1
0.447
JOR-UNI-61e7b1d5-2
0.447
DAR-DIA-23aa0b97-5
0.447
ANN-UNI-26382800-4
0.447
WAR-XCH-eb7b662f-3
0.425
DAR-DIA-23aa0b97-15
0.419
DAR-DIA-842b4336-2
0.419
MAK-UNK-129dcd6f-2
0.419
MAK-UNK-129dcd6f-9
0.419
AAR-POS-d2a4d1df-11
0.414
SAD-SAT-689b7d5a-3
0.412
WAR-XCH-eb7b662f-5
0.410
MAK-UNK-10dfa458-24
0.409
JOR-UNI-61e7b1d5-1
0.407
SAD-SAT-135344c3-10
0.402
WIL-UNI-5578df48-31
0.402
WAR-XCH-eb7b662f-4
0.397
CHR-SOS-363cfb78-1
0.397
WIL-UNI-5578df48-20
0.395
WIL-UNI-5578df48-32
0.394
MAK-UNK-30aad1f1-8
0.393
DAR-DIA-842b4336-1
0.392
MAK-UNK-d1e89583-4
0.390
MAK-UNK-d1e89583-7
0.390
MAK-UNK-009ebe36-2
0.389
SAD-SAT-689b7d5a-8
0.388
CHA-MCP-85291e1d-1
0.384
SAD-SAT-cefd50cc-1
0.383
WIL-UNI-5578df48-14
0.381
DAR-DIA-842b4336-7
0.380
SAD-SAT-689b7d5a-5
0.379
WAR-XCH-eb7b662f-2
0.378
WIL-UNI-5578df48-23
0.378
DAR-DIA-842b4336-3
0.377
ANN-UNI-26382800-3
0.377
JOH-UNK-14e6adc5-2
0.377
WIL-UNI-5578df48-15
0.373
SAD-SAT-f25ee457-8
0.372
CHA-MCP-85291e1d-4
0.372
JOH-IMS-62aeb97d-5
0.371
BAR-COM-5694a99d-3
0.371
SAD-SAT-689b7d5a-6
0.368
MAK-UNK-129dcd6f-3
0.368
MAK-UNK-d1e89583-2
0.367
MAK-UNK-c749d764-17
0.367
ALE-HEI-f28a35b5-4
0.367
MAK-UNK-d1e89583-1
0.364
MAK-UNK-10dfa458-16
0.364
WIL-UNI-5578df48-16
0.363
DAR-DIA-842b4336-8
0.362
ALE-HEI-f28a35b5-15
0.360
BAR-COM-5694a99d-4
0.360
DAR-DIA-842b4336-4
0.359
SAD-SAT-689b7d5a-1
0.354
DAR-DIA-842b4336-9
0.354
MAK-UNK-de8f6d00-2
0.352
DAR-DIA-842b4336-6
0.349
MAK-UNK-37f1d6fa-6
0.349
MAK-UNK-c749d764-14
0.349
JAN-LUN-3e0f9c09-2
0.348
JAN-LUN-8953ce76-4
0.348
WIL-UNI-5578df48-17
0.348
MAK-UNK-129dcd6f-12
0.348
MAR-TRE-9d18ae8c-43
0.348
MAK-UNK-51bb34f9-3
0.347
EDG-MED-0da5ad92-2
0.346
DAR-DIA-842b4336-5
0.346
DAR-DIA-842b4336-11
0.346
PET-SGC-1fc12be1-1
0.345
IAN-BAS-df1706d7-1
0.345
WIL-UNI-5578df48-18
0.344
MAR-TRE-67513f76-81
0.343
DAR-DIA-23aa0b97-17
0.341
TAM-UNI-c140e31a-19
0.341
MAK-UNK-10dfa458-31
0.341