Molecular Properties | |
SMILES: | NS(=O)(=O)NCCN(CCCBr)C(=O)C(Cc1ccc(O)cc1)NC(=O)Nc1cccnc1 |
MW: | 543.444 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 5 |
Rotatable Bonds: | 12 |
TPSA: | 166.75 |
cLogP: | 0.926700000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
Filter75_alkyl_Br_I
Long aliphatic chain
Hetero_hetero
Alkyl Halide
CHA-KIN-45d1307a-2
0.656
CHA-KIN-45d1307a-3
0.649
CHA-KIN-7308df58-3
0.590
CHA-KIN-7308df58-2
0.539
CHA-KIN-7308df58-1
0.505
MAR-TRE-e86a56b5-66
0.396
SAD-SAT-689b7d5a-10
0.364
CHA-KIN-87c379ac-1
0.363
CHA-KIN-bfe9b535-1
0.357
SAD-SAT-689b7d5a-6
0.356
ALE-HEI-f28a35b5-15
0.348
CHA-KIN-bfe9b535-6
0.331
CHA-KIN-bfe9b535-3
0.331
CHA-KIN-87c379ac-2
0.326
CHA-KIN-bfe9b535-7
0.323
CHA-KIN-bfe9b535-8
0.322
CHA-KIN-bfe9b535-2
0.320
ALE-HEI-f28a35b5-14
0.319
DOU-UNK-b5326f8f-19
0.315
WIL-UNI-5578df48-14
0.314
WAR-XCH-6eb0722e-6
0.312
CHA-KIN-bfe9b535-4
0.312
SAD-SAT-135344c3-6
0.308
SAD-SAT-135344c3-10
0.308
CHA-KIN-bfe9b535-5
0.306
MAR-TRE-85681e92-70
0.305
SAD-SAT-689b7d5a-4
0.304
JIA-UNI-12b1f9ae-1
0.304
AAR-POS-d2a4d1df-11
0.300
ADA-UNI-f8e79267-1
0.299
MAR-TRE-85681e92-51
0.299
WAR-XCH-6eb0722e-2
0.298
SAD-SAT-689b7d5a-1
0.298
MAR-TRE-e86a56b5-98
0.298
WAR-XCH-6eb0722e-5
0.297
MAR-TRE-d0525fbf-91
0.297
CHA-KIN-bfe9b535-9
0.297
BAR-COM-5694a99d-3
0.296
WIL-UNI-5578df48-15
0.294
MAK-UNK-c749d764-9
0.294
WAR-XCH-6eb0722e-3
0.293
WIL-UNI-5578df48-26
0.292
CHR-SOS-e960e883-1
0.292
MAR-TRE-e86a56b5-31
0.292
CHR-SOS-e960e883-3
0.291
MAR-TRE-7f7bb9f0-49
0.290
KEI-TRE-d5e2018a-69
0.290
WIL-UNI-5578df48-17
0.290
MAR-TRE-e86a56b5-63
0.289
MAR-TRE-fffca54f-96
0.289
MAK-UNK-d1e89583-4
0.289
CHA-MCP-85291e1d-5
0.288
SAD-SAT-f25ee457-7
0.288
MAK-UNK-51bb34f9-2
0.288
MAR-TRE-e86a56b5-47
0.287
DAR-DIA-842b4336-1
0.287
BAR-COM-5694a99d-4
0.287
KEI-TRE-d5e2018a-99
0.286
MAK-UNK-d1e89583-2
0.286
MAR-TRE-67513f76-32
0.286
CHR-SOS-e960e883-2
0.286
IAN-BAS-df1706d7-1
0.286
MAR-TRE-2fd8122f-1
0.284
MAK-UNK-c44f4be0-9
0.284
BAR-COM-21d20d65-9
0.284
BAR-COM-21d20d65-8
0.284
MAR-TRE-2fd8122f-77
0.284
MAK-UNK-ca11b4f7-3
0.284
WAR-XCH-6eb0722e-4
0.283
SAD-SAT-f25ee457-8
0.283
MAK-UNK-c749d764-23
0.283
KEI-TRE-d5e2018a-42
0.283
WAR-XCH-eb7b662f-4
0.283
SAD-SAT-135344c3-2
0.282
MAR-TRE-74c6519b-47
0.282
MAK-UNK-d1e89583-1
0.281
DAR-DIA-842b4336-2
0.281
DAR-DIA-23aa0b97-15
0.281
MAK-UNK-ca11b4f7-1
0.281
JOH-IMS-62aeb97d-5
0.281
WAR-XCH-6eb0722e-1
0.281
MAR-TRE-e86a56b5-62
0.280
MAR-TRE-e86a56b5-45
0.280
MAR-TRE-2fd8122f-51
0.279
WIL-UNI-5578df48-16
0.279
MAK-UNK-d1e89583-8
0.279
MAR-TRE-2fd8122f-69
0.279
CHA-MCP-85291e1d-2
0.279
ANN-UNI-26382800-3
0.278
JOH-UNK-14e6adc5-2
0.278
MAK-UNK-a7b37c5e-5
0.278
WAR-XCH-eb7b662f-6
0.278
ADA-UNI-f8e79267-2
0.278
SAD-SAT-689b7d5a-5
0.278
KEI-TRE-d5e2018a-40
0.278
MAR-TRE-f6f5f473-79
0.277
WIL-UNI-5578df48-2
0.277
MAR-TRE-e86a56b5-69
0.276
DAR-DIA-842b4336-10
0.276
KEI-TRE-d5e2018a-55
0.275