Molecular Properties | |
SMILES: | COc1ccc2[nH]c(SCC(=O)Nc3ccc(N4CCOCC4)cc3)nc2c1 |
MW: | 398.14 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 79.48 |
cLogP: | 3.14 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1068094433 |
MolPort: | MolPort-003-843-176 |
N,N-Dialkyl aniline derivatives (2)
MAR-TRE-1c920f6f-65
0.411
MAR-TRE-6c5ef77a-16
0.408
MAR-TRE-6c5ef77a-12
0.356
MAR-TRE-a3327163-82
0.354
MAR-TRE-a3327163-88
0.343
MAR-TRE-a3327163-40
0.341
MAT-POS-b5746674-64
0.324
MAR-TRE-f5c2d31c-76
0.323
MAR-TRE-0fda4e82-96
0.320
MAR-TRE-6c5ef77a-92
0.320
MAR-TRE-0fda4e82-11
0.319
MAR-TRE-a3327163-71
0.318
MAR-TRE-6c5ef77a-67
0.317
AAR-POS-0daf6b7e-18
0.303
MAR-TRE-fd17a9b8-12
0.302
MAR-TRE-3159af1a-95
0.302
MAR-TRE-d0525fbf-99
0.298
MAR-TRE-0fda4e82-94
0.296
MAR-TRE-f5c2d31c-97
0.290
MAR-TRE-0fda4e82-14
0.289
KRI-MAR-d2e3ef86-13
0.287
BEN-DND-7e92b6ca-11
0.287
MAR-TRE-3159af1a-82
0.287
MAR-TRE-6c5ef77a-24
0.286
ALP-POS-bad7201a-8
0.282
MAR-TRE-1c920f6f-97
0.280
ALP-POS-a3de0cb1-11
0.279
MAR-TRE-a3327163-43
0.277
JOH-UNI-522b0723-10
0.274
KRI-MAR-d2e3ef86-15
0.273
MAR-TRE-a3327163-42
0.273
MAR-TRE-fd17a9b8-36
0.272
ALP-POS-bad7201a-1
0.271
BAR-COM-4e090d3a-58
0.271
MAR-TRE-0fda4e82-100
0.271
MAR-TRE-f5c2d31c-96
0.270
MAR-TRE-7f7bb9f0-58
0.270
MAR-TRE-f5c2d31c-10
0.268
MAR-TRE-f5c2d31c-38
0.268
MAR-TRE-1c920f6f-100
0.267
WIL-NOV-649f4ed0-2
0.267
MAR-TRE-67513f76-60
0.267
MAR-TRE-6c5ef77a-54
0.266
MAR-TRE-a3327163-32
0.265
MAR-TRE-67513f76-55
0.264
ALP-POS-a3de0cb1-12
0.264
MAR-TRE-6c5ef77a-35
0.264
MAR-TRE-7f7bb9f0-42
0.263
MAR-TRE-c317dd82-45
0.263
MAR-TRE-f5c2d31c-33
0.263
MAR-TRE-f5c2d31c-83
0.263
MAR-TRE-0fda4e82-81
0.263
MAR-TRE-67513f76-86
0.263
MAR-TRE-6c5ef77a-64
0.262
MAR-TRE-f5c2d31c-15
0.261
MAR-TRE-6c5ef77a-32
0.261
MAR-TRE-0fda4e82-59
0.261
BAR-COM-0f94fc3d-33
0.261
ALP-POS-c0c213c9-16
0.261
MAR-TRE-f5c2d31c-44
0.260
MAT-POS-b5746674-65
0.260
MAR-TRE-6a44bbf2-42
0.260
MAR-TRE-1c920f6f-95
0.259
MAR-TRE-7f7bb9f0-90
0.257
MAR-TRE-9c797165-83
0.257
MAR-TRE-0fda4e82-31
0.257
JOH-UNI-abdb2f0c-1
0.257
MAR-TRE-f5c2d31c-81
0.257
MAR-TRE-3e4e6814-16
0.257
MAR-TRE-f5c2d31c-19
0.257
ALP-POS-6d04362c-5
0.256
MAR-TRE-3e4e6814-8
0.256
MAR-TRE-1c920f6f-52
0.255
MAR-TRE-6c5ef77a-58
0.255
MAT-POS-b5746674-66
0.254
DRA-CSI-7ec17797-5
0.254
NIR-WEI-dcc3321b-2
0.254
MAT-POS-b5746674-56
0.253
JOH-MEM-5e386bbd-4
0.253
MAR-TRE-4b834d9a-64
0.252
MAR-TRE-1c920f6f-20
0.252
MAR-TRE-f5c2d31c-9
0.252
MAR-TRE-3159af1a-88
0.252
CHO-MSK-00c5269a-4
0.252
NIR-WEI-dcc3321b-1
0.252
MAR-TRE-9c797165-58
0.250
ALP-POS-8ed8d9ec-12
0.248
MAR-TRE-74c6519b-19
0.248
MAR-TRE-f5c2d31c-18
0.248
MAR-TRE-f5c2d31c-42
0.248
MAR-TRE-2fd8122f-35
0.248
MAR-TRE-e86a56b5-38
0.248
MAR-TRE-9c797165-32
0.248
MAR-TRE-3e4e6814-6
0.248
MAR-TRE-0fda4e82-56
0.248
MAR-TRE-a3327163-53
0.248
MAR-TRE-d0525fbf-31
0.246
DRA-CSI-3ab97369-2
0.244
JAG-UCB-c61058a9-31
0.243
MAR-TRE-b77b7921-85
0.243