Molecular Properties | |
SMILES: | Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCNC(=O)c1cncnc1 |
MW: | 422.14 |
Fraction sp3: | 0.41 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 135.52 |
cLogP: | -1.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Hetero_hetero
MAR-TRE-6a44bbf2-63
0.550
MAR-TRE-c317dd82-2
0.541
MAR-TRE-67513f76-51
0.517
MAR-TRE-c317dd82-78
0.506
MAR-TRE-4f781e27-67
0.466
MAR-TRE-8190bb11-100
0.466
MAR-TRE-a9136c7b-65
0.438
MAR-TRE-799db12b-34
0.438
MAR-TRE-a9136c7b-17
0.433
MAR-TRE-799db12b-64
0.424
MAR-TRE-a9136c7b-16
0.394
MAR-TRE-a9136c7b-38
0.385
MAR-TRE-8190bb11-39
0.376
MAR-TRE-e82e6c98-26
0.360
MAR-TRE-fd17a9b8-62
0.358
MAR-TRE-c317dd82-1
0.356
MAR-TRE-be9ff7d2-45
0.356
MAR-TRE-e82e6c98-47
0.349
MAR-TRE-c317dd82-92
0.344
MAR-TRE-a9136c7b-11
0.343
MAR-TRE-8190bb11-96
0.341
MAR-TRE-e82e6c98-76
0.341
MAR-TRE-c317dd82-81
0.340
MAR-TRE-be9ff7d2-54
0.340
MAR-TRE-e82e6c98-64
0.340
KEI-TRE-d5e2018a-22
0.340
KEI-TRE-d5e2018a-13
0.340
MAR-TRE-c317dd82-73
0.337
MAR-TRE-c317dd82-96
0.333
MAR-TRE-c317dd82-26
0.333
MAR-TRE-be9ff7d2-16
0.333
MAR-TRE-66ac689e-47
0.333
MAR-TRE-4f781e27-85
0.333
MAR-TRE-8190bb11-64
0.330
MAR-TRE-c317dd82-69
0.330
MAR-TRE-8190bb11-7
0.330
MAR-TRE-a9136c7b-23
0.327
MAR-TRE-3e4e6814-34
0.326
KEI-TRE-d5e2018a-32
0.326
MAR-TRE-2fd8122f-55
0.324
MAR-TRE-c317dd82-23
0.324
KEI-TRE-d5e2018a-10
0.323
MAR-TRE-2fd8122f-15
0.323
MAR-TRE-be9ff7d2-60
0.323
MAR-TRE-a9136c7b-64
0.323
MAR-TRE-8190bb11-33
0.323
MAR-TRE-be9ff7d2-32
0.323
MAR-TRE-c317dd82-7
0.320
MAR-TRE-66ac689e-35
0.319
MAR-TRE-e82e6c98-22
0.319
KEI-TRE-d5e2018a-53
0.317
KEI-TRE-d5e2018a-61
0.317
MAR-TRE-4f781e27-7
0.316
MAR-TRE-e82e6c98-52
0.316
AHN-SAT-de2502ba-9
0.315
MAR-TRE-66ac689e-12
0.315
AHN-SAT-02ef6d10-5
0.315
MAR-TRE-c317dd82-31
0.314
MAR-TRE-799db12b-9
0.314
KEI-TRE-d5e2018a-9
0.314
MAR-TRE-c317dd82-67
0.314
MAR-TRE-c317dd82-5
0.313
MAR-TRE-799db12b-11
0.313
MAR-TRE-c317dd82-37
0.312
MAR-TRE-be9ff7d2-92
0.312
MAR-TRE-799db12b-7
0.312
MAR-TRE-4f781e27-88
0.312
MAR-TRE-4f781e27-16
0.312
MAR-TRE-e82e6c98-29
0.312
MAT-POS-b5746674-85
0.311
MAR-TRE-e82e6c98-55
0.311
MAR-TRE-8190bb11-24
0.310
KEI-TRE-d5e2018a-52
0.310
MAR-TRE-e82e6c98-37
0.310
MAR-TRE-e82e6c98-62
0.310
MAR-TRE-e82e6c98-92
0.310
MAR-TRE-e82e6c98-10
0.309
MAR-TRE-66ac689e-6
0.309
MAR-TRE-c317dd82-40
0.309
MAR-TRE-c317dd82-86
0.309
MAR-TRE-c317dd82-25
0.306
MAR-TRE-4f781e27-97
0.306
MAR-TRE-c317dd82-70
0.305
MAR-TRE-c317dd82-18
0.304
AHN-SAT-de2502ba-16
0.304
MAR-TRE-e82e6c98-75
0.304
MAR-TRE-92684b97-11
0.304
MAR-TRE-e82e6c98-3
0.304
MAR-TRE-8190bb11-13
0.303
MAR-TRE-be9ff7d2-8
0.303
MAR-TRE-8190bb11-30
0.302
AHN-SAT-de2502ba-4
0.301
MAR-TRE-6a44bbf2-100
0.301
MAR-TRE-799db12b-18
0.301
MAR-TRE-c317dd82-13
0.300
MAR-TRE-c317dd82-12
0.300
MAR-TRE-be9ff7d2-91
0.300
MAR-TRE-e82e6c98-74
0.300
MAR-TRE-e82e6c98-51
0.300
MAR-TRE-799db12b-22
0.299