Molecular Properties | |
SMILES: | CCCCSc1nc(N)cc(N2CCC(C(=O)N3CCOCC3)CC2)n1 |
MW: | 379.2 |
Fraction sp3: | 0.72 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 84.58 |
cLogP: | 2.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8381403456 |
MolPort: | MolPort-028-575-608 |
Aliphatic long chain
aniline
MAR-TRE-dab8f6ea-8
0.694
GIA-UNK-30c7cb75-2
0.420
MAR-TRE-dab8f6ea-39
0.409
MAR-TRE-dab8f6ea-40
0.389
MAR-TRE-dab8f6ea-13
0.379
MAR-TRE-dab8f6ea-45
0.362
MAR-TRE-dab8f6ea-19
0.340
MAR-TRE-dab8f6ea-11
0.336
MAR-TRE-dab8f6ea-47
0.323
GIA-UNK-eaadd1d4-3
0.322
GIA-UNK-30c7cb75-5
0.301
MAR-TRE-dab8f6ea-12
0.288
GIA-UNK-30c7cb75-1
0.284
MAR-TRE-dab8f6ea-30
0.278
GIA-UNK-30c7cb75-3
0.278
MAR-TRE-d0525fbf-87
0.273
MAR-TRE-dab8f6ea-14
0.262
MAR-TRE-dab8f6ea-33
0.261
MAR-TRE-dab8f6ea-41
0.252
SAD-SAT-9a6c5cf3-1
0.252
MAR-TRE-dab8f6ea-26
0.250
MAR-TRE-dab8f6ea-25
0.248
MAR-TRE-9c797165-32
0.248
GIA-UNK-d2defdc3-5
0.248
MAR-TRE-dab8f6ea-7
0.246
MAR-TRE-dab8f6ea-42
0.239
MAT-POS-ea426761-91
0.239
SAD-SAT-f2e2579e-7
0.239
MAR-TRE-6c5ef77a-38
0.239
MAR-TRE-9c797165-58
0.238
MAR-TRE-67513f76-86
0.237
MAK-UNK-704ed37c-3
0.236
MAR-TRE-dab8f6ea-31
0.236
MAR-TRE-be9ff7d2-16
0.235
MAR-TRE-f5c2d31c-53
0.234
MAR-TRE-9c797165-83
0.232
AAR-POS-fca48359-5
0.232
JUL-TUD-06b2044f-148
0.231
LON-WEI-1908424e-3
0.230
PET-UNK-1320d94d-3
0.229
PET-UNK-1320d94d-4
0.229
LON-WEI-120e5cf5-8
0.228
MAR-TRE-f5c2d31c-27
0.228
MAT-POS-b5746674-16
0.228
GIA-UNK-d2defdc3-6
0.227
MAR-TRE-dab8f6ea-29
0.227
MAR-TRE-dab8f6ea-37
0.226
MAR-TRE-fd17a9b8-87
0.225
MAR-TRE-6c5ef77a-83
0.224
SAD-SAT-f2e2579e-2
0.222
MAR-TRE-a3327163-41
0.222
JON-CHE-41f76505-1
0.222
PET-UNK-1320d94d-13
0.221
PET-UNK-1320d94d-14
0.221
MAT-POS-b5746674-14
0.221
GIA-UNK-eaadd1d4-1
0.221
MAR-TRE-f5c2d31c-23
0.220
JON-CHE-41f76505-2
0.220
MAR-TRE-f5c2d31c-64
0.220
MAR-TRE-67513f76-60
0.219
MAK-UNK-750cfbcc-5
0.218
MAR-TRE-f5c2d31c-37
0.218
MAR-TRE-fd17a9b8-36
0.217
MAR-TRE-f5c2d31c-11
0.217
MAR-TRE-f5c2d31c-66
0.217
PAT-GYR-359dbb24-2
0.216
PET-UNK-1320d94d-24
0.216
PET-UNK-1320d94d-23
0.216
MAR-TRE-4b834d9a-64
0.216
MAR-TRE-f5c2d31c-7
0.214
MAR-TRE-7f7bb9f0-80
0.214
MAR-TRE-9c797165-69
0.214
MAR-TRE-fd17a9b8-72
0.214
MAR-TRE-f6f5f473-76
0.214
MAR-TRE-f5c2d31c-96
0.214
MAR-TRE-67513f76-75
0.213
MAR-TRE-f5c2d31c-19
0.212
PAT-GYR-359dbb24-4
0.212
MAR-TRE-f5c2d31c-39
0.212
MAR-TRE-f5c2d31c-54
0.212
MAR-TRE-fd17a9b8-97
0.212
MAR-TRE-8190bb11-7
0.212
DAN-MCD-3ec20f87-1
0.211
MAR-TRE-f5c2d31c-57
0.211
MAR-TRE-f5c2d31c-33
0.210
MAR-TRE-3159af1a-17
0.210
SAD-SAT-b55127ae-7
0.210
MAK-UNK-750cfbcc-3
0.209
MAR-TRE-6a44bbf2-79
0.209
AAR-POS-fca48359-4
0.209
KAD-UNI-877d7bed-10
0.209
MAR-TRE-f5c2d31c-9
0.209
MAR-TRE-f5c2d31c-29
0.209
PAT-GYR-359dbb24-1
0.208
MAR-TRE-14ce9fd6-86
0.208
SAD-SAT-f2e2579e-3
0.208
MAR-TRE-7f7bb9f0-29
0.207
MAR-TRE-dab8f6ea-48
0.207
MAR-TRE-f5c2d31c-22
0.207
MAR-TRE-f5c2d31c-74
0.207