Molecular Properties | |
SMILES: | CN1CCN(C(=O)Cc2cccc(NC(=O)Nc3cccnc3)c2)CC1 |
MW: | 353.19 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 77.57 |
cLogP: | 2.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-28
0.592
WIL-UNI-5578df48-26
0.525
MAK-UNK-009ebe36-2
0.524
BAR-COM-21d20d65-4
0.506
BAR-COM-21d20d65-8
0.506
WIL-UNI-5578df48-24
0.506
BAR-COM-21d20d65-2
0.506
BAR-COM-21d20d65-6
0.494
WIL-UNI-5578df48-30
0.489
BAR-COM-21d20d65-1
0.483
WIL-UNI-5578df48-25
0.483
BAR-COM-21d20d65-5
0.482
ALE-HEI-f28a35b5-16
0.473
WAR-XCH-eb7b662f-6
0.473
BAR-COM-21d20d65-9
0.471
BAR-COM-21d20d65-7
0.466
WIL-UNI-5578df48-27
0.466
MAK-UNK-de8f6d00-2
0.465
BAR-COM-21d20d65-3
0.460
WIL-UNI-5578df48-29
0.456
WIL-UNI-5578df48-21
0.455
DAR-DIA-23aa0b97-14
0.453
JAN-GHE-83b26c96-19
0.453
JOR-UNI-2fc98d0b-7
0.453
WAR-XCH-eb7b662f-7
0.453
DAR-DIA-842b4336-2
0.440
SAD-SAT-135344c3-9
0.440
WIL-UNI-5578df48-19
0.434
WIL-UNI-5578df48-22
0.432
DAR-DIA-23aa0b97-5
0.430
ANN-UNI-26382800-4
0.430
WAR-XCH-eb7b662f-1
0.430
JOR-UNI-61e7b1d5-2
0.430
MAK-UNK-30aad1f1-6
0.430
DAR-DIA-842b4336-7
0.418
AAR-POS-d2a4d1df-11
0.417
MAK-UNK-129dcd6f-2
0.404
MAK-UNK-129dcd6f-9
0.404
ALE-MCD-4ac17b19-1
0.404
MAR-TRE-9c797165-52
0.400
WIL-UNI-5578df48-23
0.396
DAR-DIA-842b4336-1
0.395
WIL-UNI-5578df48-15
0.393
MAK-UNK-009ebe36-8
0.391
WAR-XCH-eb7b662f-3
0.390
SAD-SAT-135344c3-8
0.389
MAK-UNK-de8f6d00-3
0.388
SID-ELM-1f105489-3
0.386
SAD-SAT-cefd50cc-1
0.386
DAR-DIA-23aa0b97-15
0.385
EDG-MED-0da5ad92-2
0.383
DAR-DIA-842b4336-11
0.383
WIL-UNI-5578df48-20
0.382
MAK-UNK-30aad1f1-8
0.380
MAK-UNK-10dfa458-24
0.380
AAR-POS-d2a4d1df-20
0.379
WAR-XCH-eb7b662f-5
0.378
MAK-UNK-d1e89583-7
0.375
WIL-UNI-5578df48-31
0.375
SAD-SAT-f25ee457-8
0.375
CHA-MCP-85291e1d-2
0.372
JOR-UNI-2fc98d0b-11
0.371
CHA-MCP-85291e1d-1
0.371
MAK-UNK-129dcd6f-3
0.371
MAK-UNK-d1e89583-2
0.370
CHA-MCP-85291e1d-5
0.368
WIL-UNI-5578df48-32
0.367
MAK-UNK-d1e89583-1
0.367
SID-ELM-1f105489-6
0.367
CHR-SOS-363cfb78-1
0.366
WAR-XCH-eb7b662f-4
0.366
DAR-DIA-842b4336-5
0.366
DAR-DIA-842b4336-8
0.366
MAR-TRE-2fd8122f-39
0.366
SAD-SAT-689b7d5a-3
0.365
JOH-UNK-14e6adc5-2
0.362
ANN-UNI-26382800-3
0.362
DAR-DIA-842b4336-3
0.362
ABB-MCD-f549d731-1
0.361
MAK-UNK-de8f6d00-5
0.361
MAK-UNK-ae34c249-2
0.361
ANN-UNI-26382800-5
0.360
SAD-SAT-689b7d5a-8
0.360
MAK-UNK-d1e89583-4
0.358
LON-WEI-5e7d1b3e-22
0.358
LON-WEI-4d77710c-22
0.358
MAK-UNK-009ebe36-7
0.357
JOR-UNI-2fc98d0b-5
0.357
JOR-UNI-61e7b1d5-28
0.356
SAD-SAT-689b7d5a-4
0.356
JIA-UNI-12b1f9ae-1
0.356
SID-ELM-1f105489-4
0.356
BAR-COM-5694a99d-1
0.355
ALE-HEI-f28a35b5-4
0.354
DAR-DIA-842b4336-6
0.353
WIL-UNI-5578df48-14
0.352
MAK-UNK-129dcd6f-12
0.352
MAK-UNK-10dfa458-16
0.352
SID-ELM-1f105489-7
0.352
WIL-UNI-5578df48-17
0.352