Molecular Properties | |
SMILES: | CC(=O)N1CCN(S(=O)(=O)c2ccc(NC(=O)Nc3cccnc3)cc2)CC1 |
MW: | 403.464 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 111.71 |
cLogP: | 1.5784 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Hetero_hetero
SAD-SAT-135344c3-5
0.610
MAK-UNK-009ebe36-2
0.557
MAK-UNK-009ebe36-3
0.519
SAD-SAT-135344c3-4
0.519
SAD-SAT-135344c3-2
0.494
MAT-POS-b5746674-55
0.478
AAR-POS-d2a4d1df-11
0.470
JOH-UNK-14e6adc5-2
0.465
ANN-UNI-26382800-3
0.465
MAT-POS-b5746674-56
0.458
KEI-TRE-d5e2018a-32
0.457
MAR-TRE-3e4e6814-34
0.457
DAR-DIA-842b4336-2
0.451
SAD-SAT-2fd372d1-7
0.440
MAR-TRE-2fd8122f-22
0.430
MAK-UNK-129dcd6f-3
0.427
MAR-TRE-f6f5f473-23
0.425
DAR-DIA-842b4336-1
0.423
WIL-UNI-5578df48-16
0.419
WIL-UNI-5578df48-15
0.418
SAD-SAT-f25ee457-8
0.415
DAR-DIA-23aa0b97-15
0.411
SIM-SYN-3099a863-3
0.409
MAK-UNK-de8f6d00-3
0.408
WIL-UNI-5578df48-14
0.407
MAR-TRE-d0525fbf-90
0.407
KEI-TRE-d5e2018a-38
0.407
WAR-XCH-eb7b662f-6
0.405
WIL-UNI-5578df48-17
0.405
MAK-UNK-129dcd6f-12
0.405
SAD-SAT-135344c3-7
0.404
KEI-TRE-d5e2018a-9
0.400
WIL-UNI-5578df48-18
0.400
MAK-UNK-d1e89583-4
0.400
MAR-TRE-04c86cea-17
0.398
SAD-SAT-135344c3-3
0.398
WAR-XCH-eb7b662f-3
0.397
BAR-COM-5694a99d-2
0.395
JIA-UNI-12b1f9ae-1
0.395
SAD-SAT-2fd372d1-9
0.395
ALE-HEI-f28a35b5-4
0.395
SIM-SYN-a98e6a07-1
0.394
MAR-TRE-04c86cea-35
0.393
MAR-TRE-fd17a9b8-74
0.393
SAD-SAT-cefd50cc-1
0.392
MAK-UNK-d1e89583-1
0.392
MAK-UNK-009ebe36-7
0.391
BAR-COM-5694a99d-1
0.391
WIL-UNI-5578df48-21
0.390
DAR-DIA-842b4336-7
0.390
WAR-XCH-eb7b662f-4
0.390
PEI-IMP-ca0b2813-1
0.390
MAK-UNK-10dfa458-16
0.388
MAK-UNK-30aad1f1-12
0.388
SAD-SAT-689b7d5a-3
0.388
DAR-DIA-23aa0b97-14
0.387
JOR-UNI-2fc98d0b-7
0.387
WAR-XCH-eb7b662f-7
0.387
JAN-GHE-83b26c96-19
0.387
DAR-DIA-842b4336-3
0.387
ALE-HEI-f28a35b5-16
0.387
KEI-TRE-d5e2018a-13
0.385
WAR-XCH-eb7b662f-5
0.385
SAD-SAT-135344c3-1
0.385
MAR-TRE-a9136c7b-64
0.384
KEI-TRE-d5e2018a-10
0.382
SAD-SAT-f25ee457-7
0.382
MAK-UNK-d1e89583-7
0.382
MAK-UNK-4c6b313a-1
0.380
MAK-UNK-6435e6c2-11
0.380
MAK-UNK-6435e6c2-10
0.380
MAK-UNK-10dfa458-31
0.379
MAK-UNK-6435e6c2-5
0.378
MAR-TRE-67513f76-51
0.378
MAK-UNK-d1e89583-2
0.377
MAR-TRE-2fd8122f-98
0.376
MAR-TRE-04c86cea-46
0.375
KEI-TRE-d5e2018a-61
0.374
MAR-TRE-2fd8122f-6
0.374
TAM-UNI-c140e31a-13
0.374
WIL-UNI-5578df48-19
0.373
SAD-SAT-1f400d17-2
0.373
KEI-TRE-d5e2018a-53
0.372
SAD-SAT-689b7d5a-5
0.372
DAR-DIA-842b4336-5
0.372
CHR-SOS-363cfb78-1
0.372
KEI-TRE-d5e2018a-22
0.371
WIL-UNI-5578df48-22
0.370
FRA-FAC-9ed5a63a-4
0.370
MAK-UNK-ae34c249-7
0.370
KAY-MCD-59dc2eb3-1
0.369
DAR-DIA-842b4336-4
0.368
MAR-TRE-6a44bbf2-89
0.368
JOH-IMS-62aeb97d-4
0.368
MAR-TRE-2fd8122f-13
0.368
MAR-TRE-7f7bb9f0-33
0.368
MAK-UNK-129dcd6f-5
0.368
MAK-UNK-ca11b4f7-3
0.368
WAR-XCH-eb7b662f-1
0.367
ANN-UNI-26382800-4
0.367