Molecular Properties | |
SMILES: | CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3cccnc3)CC2)cc1 |
MW: | 417.15 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 120.5 |
cLogP: | 2.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z230870472 |
Hetero_hetero
AAR-POS-d2a4d1df-11
SAD-SAT-135344c3-4
0.814
MAK-UNK-009ebe36-3
0.789
ALE-MCD-4ac17b19-1
0.610
MAR-TRE-a9136c7b-64
0.557
ALE-HEI-f28a35b5-8
0.514
FRA-FAC-9ed5a63a-3
0.500
FRA-FAC-9ed5a63a-4
0.494
MAK-UNK-009ebe36-10
0.488
SAD-SAT-135344c3-2
0.471
MAK-UNK-009ebe36-6
0.447
MAK-UNK-009ebe36-2
0.443
SAD-SAT-689b7d5a-9
0.443
MAK-UNK-009ebe36-9
0.441
MAR-TRE-d0525fbf-90
0.439
KEI-TRE-d5e2018a-32
0.435
MAR-TRE-3e4e6814-34
0.435
KEI-TRE-d5e2018a-38
0.435
MAT-POS-b5746674-56
0.434
MAT-POS-b5746674-55
0.432
MAR-TRE-f6f5f473-23
0.422
MAR-TRE-04c86cea-17
0.411
MAR-TRE-04c86cea-35
0.407
MAR-TRE-04c86cea-46
0.404
MAR-TRE-74c6519b-66
0.400
MAR-TRE-7f7bb9f0-33
0.398
KEI-TRE-d5e2018a-73
0.394
DAR-DIA-842b4336-2
0.390
MAR-TRE-d0525fbf-14
0.383
KEI-TRE-d5e2018a-79
0.383
MAR-TRE-2fd8122f-13
0.382
MAR-TRE-2fd8122f-22
0.380
MAR-TRE-2fd8122f-29
0.376
MAR-TRE-2fd8122f-19
0.376
MAR-TRE-fd17a9b8-74
0.375
MAK-UNK-009ebe36-7
0.375
MAR-TRE-2fd8122f-33
0.370
KEI-TRE-d5e2018a-13
0.368
KEI-TRE-d5e2018a-9
0.368
SAD-SAT-2fd372d1-7
0.366
KEI-TRE-d5e2018a-10
0.366
KEI-TRE-d5e2018a-52
0.366
SAD-SAT-135344c3-3
0.366
AAR-POS-d2a4d1df-11
0.365
KEI-TRE-d5e2018a-15
0.363
MAR-TRE-7f7bb9f0-18
0.363
MAR-TRE-67513f76-51
0.362
KEI-TRE-d5e2018a-61
0.358
KEI-TRE-d5e2018a-53
0.357
ASH-UNK-40b46b30-13
0.356
SCO-CSI-e30c12ee-1
0.355
KEI-TRE-d5e2018a-22
0.355
SAD-SAT-1f400d17-2
0.354
SAD-SAT-135344c3-1
0.354
MED-UNK-e6e8ef8a-1
0.354
MAK-UNK-d1e89583-3
0.353
SAD-SAT-f25ee457-7
0.351
SIM-SYN-3099a863-1
0.351
MAR-TRE-2fd8122f-15
0.351
MAR-TRE-9c797165-24
0.351
MAK-UNK-009ebe36-4
0.351
MAK-UNK-009ebe36-5
0.351
JOH-UNK-14e6adc5-2
0.350
ANN-UNI-26382800-3
0.350
MAR-TRE-2fd8122f-55
0.350
SAD-SAT-f25ee457-8
0.348
WIL-UNI-5578df48-25
0.347
MAK-UNK-ca11b4f7-3
0.347
DAR-DIA-842b4336-1
0.346
MAK-UNK-129dcd6f-3
0.344
MAR-TRE-3e4e6814-54
0.344
TAM-UNI-c140e31a-13
0.344
MAR-TRE-2fd8122f-6
0.344
MAK-UNK-009ebe36-1
0.343
JOH-IMS-62aeb97d-3
0.341
ALE-HEI-f28a35b5-4
0.341
DAR-DIA-842b4336-6
0.341
WIL-UNI-5578df48-17
0.341
ZAC-WAB-d55a3c2e-2
0.340
ZAC-WAB-3baddbb3-1
0.340
MAR-TRE-2fd8122f-50
0.340
DOU-UNK-b5326f8f-19
0.340
MAR-TRE-d0525fbf-45
0.340
MAK-UNK-d1e89583-1
0.338
MED-UNK-e6e8ef8a-7
0.337
DAR-DIA-842b4336-7
0.337
SAD-SAT-689b7d5a-3
0.337
NAU-LAT-3f5f3993-2
0.337
MAR-TRE-74c6519b-51
0.337
MAR-TRE-7f7bb9f0-68
0.337
MAR-TRE-2fd8122f-31
0.337
SIM-SYN-a98e6a07-1
0.337
PET-SGC-59809fea-1
0.337
MAR-TRE-2fd8122f-24
0.333
MAR-TRE-6a44bbf2-89
0.333
SIM-SYN-3099a863-3
0.333
ALE-HEI-f28a35b5-15
0.333
ALE-HEI-f28a35b5-16
0.333
MAR-TRE-2fd8122f-82
0.333
WAR-XCH-eb7b662f-5
0.333
WAR-XCH-eb7b662f-6
0.333