Molecular Properties | |
SMILES: | CSc1cccc(NC(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c1 |
MW: | 402.18 |
Fraction sp3: | 0.42 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 91.41 |
cLogP: | 2.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1564366510 |
MolPort: | MolPort-016-588-361 |
Aliphatic long chain
MAR-TRE-f5c2d31c-9
0.747
MAR-TRE-f5c2d31c-11
0.738
MAR-TRE-f5c2d31c-39
0.713
MAR-TRE-f5c2d31c-28
0.698
MAR-TRE-f5c2d31c-37
0.687
MAR-TRE-f5c2d31c-83
0.685
MAR-TRE-f5c2d31c-19
0.682
MAR-TRE-f5c2d31c-7
0.671
MAR-TRE-f5c2d31c-66
0.604
MAR-TRE-f5c2d31c-54
0.602
MAR-TRE-f5c2d31c-57
0.600
MAR-TRE-f5c2d31c-27
0.587
MAR-TRE-f5c2d31c-29
0.576
MAR-TRE-f5c2d31c-22
0.570
MAR-TRE-f5c2d31c-18
0.515
MAR-TRE-fd17a9b8-72
0.511
MAR-TRE-f5c2d31c-20
0.500
MAR-TRE-f5c2d31c-36
0.500
MAR-TRE-f5c2d31c-63
0.485
MAR-TRE-f5c2d31c-42
0.485
MAR-TRE-fd17a9b8-49
0.480
MAR-TRE-f5c2d31c-70
0.480
MAR-TRE-f5c2d31c-43
0.479
MAR-TRE-f5c2d31c-99
0.465
MAR-TRE-f5c2d31c-8
0.464
MAR-TRE-f5c2d31c-25
0.463
MAR-TRE-f5c2d31c-13
0.461
MAR-TRE-f5c2d31c-34
0.457
MAR-TRE-f5c2d31c-12
0.454
MAR-TRE-f5c2d31c-96
0.449
MAR-TRE-f5c2d31c-81
0.444
MAR-TRE-f5c2d31c-38
0.430
MAR-TRE-f5c2d31c-85
0.411
MAR-TRE-f5c2d31c-74
0.404
MAR-TRE-f5c2d31c-35
0.393
MAR-TRE-f5c2d31c-52
0.390
BAR-COM-4e090d3a-58
0.343
MAR-TRE-fd17a9b8-85
0.315
MAR-TRE-14ce9fd6-37
0.302
AAR-UNI-c25c2f1e-30
0.299
MAR-TRE-f5c2d31c-79
0.290
JOH-UNI-522b0723-10
0.283
AAR-UNI-c25c2f1e-46
0.281
MAR-TRE-6a44bbf2-100
0.280
AHN-SAT-de2502ba-4
0.280
BAR-COM-4e090d3a-54
0.280
MAR-TRE-6a44bbf2-67
0.278
MAR-TRE-3159af1a-95
0.277
WIL-LEE-23e8b574-8
0.277
MAR-TRE-3159af1a-59
0.276
BAR-COM-4e090d3a-66
0.274
BAR-COM-0f94fc3d-33
0.270
MAR-TRE-3159af1a-71
0.268
AAR-UNI-c25c2f1e-78
0.267
JOR-UNI-61e7b1d5-17
0.266
AAR-UNI-c25c2f1e-22
0.263
MAR-TRE-3159af1a-82
0.263
MAR-TRE-fd17a9b8-97
0.263
SAD-SAT-f25ee457-3
0.261
MAR-TRE-dab8f6ea-33
0.259
MAK-UNK-c8c8f7e2-18
0.257
LUI-IND-a1be81af-2
0.257
MAR-TRE-9c797165-83
0.255
MAR-TRE-3159af1a-17
0.255
ANT-DIA-b7f58f21-9
0.255
BAR-COM-4e090d3a-60
0.255
JOR-UNI-61e7b1d5-4
0.254
GIA-UNK-3f36037a-2
0.253
AAR-UNI-c25c2f1e-51
0.253
MAR-TRE-6a44bbf2-83
0.252
AAR-UNI-c25c2f1e-31
0.252
AHN-SAT-de2502ba-13
0.252
MAR-TRE-67513f76-60
0.252
MAR-TRE-a9136c7b-11
0.252
NIR-WEI-dcc3321b-2
0.252
PET-SGC-276eba5a-1
0.250
MAR-TRE-3159af1a-52
0.250
MAR-TRE-799db12b-34
0.250
BOG-INS-bdba9cfb-1
0.248
SAD-SAT-135344c3-1
0.248
AAR-UNI-c25c2f1e-98
0.248
MAK-UNK-c8c8f7e2-17
0.248
MAR-TRE-67513f76-86
0.248
BAR-COM-4e090d3a-48
0.246
ROB-UNI-b2e39629-12
0.246
MAR-TRE-6a44bbf2-42
0.245
ALP-POS-305f6ec3-22
0.245
MAR-TRE-3159af1a-28
0.243
SAD-SAT-24589cd1-2
0.243
JOR-UNI-61e7b1d5-11
0.242
SAD-SAT-f25ee457-9
0.241
AAR-UNI-c25c2f1e-53
0.241
WIL-LEE-1f71e281-1
0.241
WIL-NOV-649f4ed0-2
0.241
MAR-TRE-3159af1a-88
0.240
ALP-POS-95f71980-19
0.239
TAM-UNI-d1c3dd9f-1
0.239
DAR-DIA-fb20be43-16
0.239
LON-WEI-120e5cf5-19
0.238
MAR-TRE-4b834d9a-64
0.238