Molecular Properties | |
SMILES: | Cc1ccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c(C)c1 |
MW: | 405.18 |
Fraction sp3: | 0.47 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 96.45 |
cLogP: | 1.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2198903796 |
MolPort: | MolPort-023-314-436 |
Aliphatic long chain
Hetero_hetero
MAR-TRE-f5c2d31c-34
0.684
MAR-TRE-f5c2d31c-8
0.662
MAR-TRE-f5c2d31c-43
0.642
MAR-TRE-f5c2d31c-25
0.625
MAR-TRE-f5c2d31c-29
0.563
MAR-TRE-fd17a9b8-72
0.511
MAR-TRE-f5c2d31c-9
0.511
MAR-TRE-f5c2d31c-22
0.505
MAR-TRE-f5c2d31c-19
0.489
MAR-TRE-f5c2d31c-37
0.489
MAR-TRE-f5c2d31c-57
0.484
MAR-TRE-f5c2d31c-54
0.474
MAR-TRE-f5c2d31c-28
0.473
MAR-TRE-f5c2d31c-11
0.473
MAR-TRE-f5c2d31c-7
0.462
MAR-TRE-f5c2d31c-39
0.458
MAR-TRE-f5c2d31c-66
0.457
MAR-TRE-f5c2d31c-27
0.457
MAR-TRE-f5c2d31c-33
0.454
MAR-TRE-f5c2d31c-52
0.356
MAR-TRE-f5c2d31c-79
0.344
MAR-TRE-f5c2d31c-35
0.333
MAR-TRE-f5c2d31c-96
0.330
MAR-TRE-f5c2d31c-42
0.327
MAR-TRE-f5c2d31c-18
0.327
WAR-XCH-79d12f6e-2
0.322
MAR-TRE-f5c2d31c-99
0.308
MAR-TRE-fd17a9b8-85
0.304
MAR-TRE-f5c2d31c-85
0.303
MAR-TRE-f5c2d31c-70
0.299
MAR-TRE-fd17a9b8-49
0.299
MAR-TRE-f5c2d31c-13
0.296
MAR-TRE-f5c2d31c-74
0.292
AAR-POS-d2a4d1df-36
0.292
MAR-TRE-f5c2d31c-36
0.290
MAR-TRE-f5c2d31c-81
0.288
WAR-XCH-b0339bbe-12
0.284
WAR-XCH-79d12f6e-1
0.284
MAR-TRE-f5c2d31c-63
0.282
MAR-TRE-f5c2d31c-83
0.282
MAR-TRE-f5c2d31c-20
0.278
MAR-TRE-f5c2d31c-38
0.276
FRA-BIO-8bf1eac9-1
0.262
MAK-UNK-3f402c2b-12
0.260
JAN-GHE-4287bd1a-1
0.253
SAD-SAT-f0a2747f-5
0.253
AHN-SAT-de2502ba-13
0.250
MAR-TRE-6a44bbf2-83
0.250
WIL-NOV-649f4ed0-2
0.250
MAR-TRE-6a44bbf2-67
0.250
MAR-TRE-3159af1a-17
0.240
AHN-SAT-de2502ba-9
0.240
MAR-TRE-9c797165-83
0.240
MAR-TRE-67513f76-60
0.238
WIL-NOV-649f4ed0-5
0.238
MAR-TRE-dab8f6ea-33
0.234
BAR-COM-0f94fc3d-33
0.234
WAR-XCH-bdd24732-47
0.233
MAR-TRE-67513f76-86
0.232
MAR-TRE-6a44bbf2-42
0.230
SEL-UNI-cd366922-9
0.228
TAT-ENA-80bfd3e5-27
0.226
MAR-TRE-dab8f6ea-42
0.224
BOG-INS-bdba9cfb-1
0.224
MAK-UNK-0b1cbb06-1
0.223
MAR-TRE-8190bb11-100
0.221
WIL-NOV-649f4ed0-1
0.221
MAR-TRE-3159af1a-71
0.220
MAK-UNK-3e0761f8-10
0.220
BAR-COM-4e090d3a-58
0.219
MAR-TRE-ebcc4ad6-20
0.219
MAR-TRE-92684b97-48
0.219
MAR-TRE-3159af1a-82
0.217
MAR-TRE-dab8f6ea-11
0.217
MAR-TRE-d0525fbf-99
0.217
ANT-DIA-b7f58f21-9
0.217
MIH-UNI-e573136b-6
0.215
MAR-TRE-6a44bbf2-20
0.214
SAD-SAT-65574d3f-8
0.214
AHN-SAT-de2502ba-12
0.214
AHN-SAT-de2502ba-4
0.214
MAR-TRE-6a44bbf2-100
0.214
MAK-UNK-3e0761f8-4
0.213
WAR-XCH-79d12f6e-11
0.212
MAK-UNK-10799360-10
0.212
MAR-TRE-3159af1a-95
0.212
WAR-XCH-b6889685-49
0.212
KEI-TRE-d5e2018a-13
0.211
SCO-VAN-260d9628-4
0.211
WAR-XCH-79d12f6e-6
0.211
MAT-POS-590ac91e-64
0.211
MAR-LAB-ca4662a6-5
0.211
AAR-POS-0daf6b7e-3
0.211
RHE-UNK-eb059eb9-1
0.211
MAR-TRE-6a44bbf2-13
0.211
JOH-UNI-522b0723-10
0.210
MAT-POS-590ac91e-63
0.209
ALP-POS-d0876c20-6
0.209
MAR-TRE-9c797165-69
0.208
MAR-TRE-9c797165-58
0.208