Molecular Properties | |
SMILES: | Cc1nc(NCCNS(=O)(=O)c2ccccc2F)cc(N2CCOCC2)n1 |
MW: | 395.14 |
Fraction sp3: | 0.41 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 96.45 |
cLogP: | 1.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8648706514 |
MolPort: | MolPort-016-588-700 |
Aliphatic long chain
Activated haloaromatics
Hetero_hetero
MAR-TRE-f5c2d31c-8
0.740
MAR-TRE-f5c2d31c-25
0.658
MAR-TRE-f5c2d31c-12
0.642
MAR-TRE-f5c2d31c-34
0.633
MAR-TRE-f5c2d31c-54
0.533
MAR-TRE-fd17a9b8-72
0.523
MAR-TRE-f5c2d31c-27
0.500
MAR-TRE-f5c2d31c-28
0.500
MAR-TRE-f5c2d31c-57
0.495
MAR-TRE-f5c2d31c-9
0.489
MAR-TRE-f5c2d31c-7
0.489
MAR-TRE-f5c2d31c-11
0.484
MAR-TRE-f5c2d31c-66
0.484
MAR-TRE-f5c2d31c-33
0.479
MAR-TRE-f5c2d31c-39
0.469
MAR-TRE-f5c2d31c-19
0.467
MAR-TRE-f5c2d31c-37
0.467
MAR-TRE-f5c2d31c-29
0.457
MAR-TRE-f5c2d31c-22
0.453
IND-SYN-8bc6954a-2
0.378
MAR-TRE-f5c2d31c-79
0.340
MAR-TRE-f5c2d31c-85
0.336
WIL-UNI-1faa9b10-19
0.309
MAR-TRE-f5c2d31c-70
0.308
MAR-TRE-fd17a9b8-49
0.308
MAR-TRE-f5c2d31c-13
0.306
MAR-TRE-f5c2d31c-74
0.302
MAR-TRE-fd17a9b8-85
0.301
WIL-UNI-1faa9b10-27
0.300
MAR-TRE-f5c2d31c-18
0.299
MAR-TRE-f5c2d31c-20
0.299
MAR-TRE-f5c2d31c-42
0.299
MAR-TRE-f5c2d31c-83
0.291
MAR-TRE-f5c2d31c-96
0.288
MAR-TRE-f5c2d31c-36
0.287
MAR-TRE-f5c2d31c-81
0.286
MAR-TRE-f5c2d31c-38
0.286
MAR-TRE-f5c2d31c-35
0.282
DRR-IMP-dff87f5e-5
0.281
MAR-TRE-6a44bbf2-8
0.281
AAR-POS-d2a4d1df-34
0.281
MAR-TRE-f5c2d31c-99
0.280
MAR-TRE-f5c2d31c-63
0.279
MAR-TRE-f5c2d31c-52
0.278
SAD-SAT-65574d3f-8
0.263
AHN-SAT-de2502ba-12
0.263
BEN-DND-03406596-9
0.263
MAR-TRE-6a44bbf2-20
0.263
BEN-DND-76ad4ac9-11
0.263
MAR-TRE-6a44bbf2-67
0.261
TAT-ENA-80bfd3e5-27
0.248
WIL-NOV-649f4ed0-2
0.248
JAR-KUA-41bd5a3d-16
0.247
WAR-XCH-bdd24732-38
0.245
MAR-TRE-a3327163-98
0.245
BOG-INS-bdba9cfb-1
0.243
MAR-TRE-dab8f6ea-33
0.243
BAR-COM-0f94fc3d-33
0.243
JOH-UNI-522b0723-10
0.243
SAD-SAT-9a6c5cf3-10
0.243
JAR-KUA-8c13982c-2
0.240
MAR-TRE-799db12b-64
0.238
MAR-TRE-3159af1a-17
0.238
MAR-TRE-6a44bbf2-100
0.237
AHN-SAT-de2502ba-4
0.237
MAR-TRE-3159af1a-82
0.237
WAR-XCH-bdd24732-36
0.235
WIL-NOV-649f4ed0-5
0.235
MAR-TRE-6a44bbf2-83
0.235
AHN-SAT-de2502ba-13
0.235
MAK-UNK-3f402c2b-11
0.235
JOH-UNI-9dc98897-3
0.234
ALP-POS-d0876c20-22
0.234
JOE-SYG-2c9a1216-3
0.233
UNK-UNK-2ede4078-82
0.233
MAR-TRE-4b834d9a-64
0.232
ALP-POS-305f6ec3-22
0.232
WIL-NOV-649f4ed0-1
0.231
NIM-UNI-310206f0-7
0.229
BAR-COM-4e090d3a-58
0.229
HUB-UNK-9845d277-13
0.229
MAR-TRE-6a44bbf2-42
0.228
ALP-POS-a3de0cb1-12
0.228
MAK-UNK-3e0761f8-10
0.228
ANT-DIA-b7f58f21-9
0.226
ALP-POS-95f71980-19
0.226
ALP-POS-d0876c20-6
0.225
AHN-SAT-de2502ba-9
0.224
MAR-TRE-9c797165-83
0.224
SAD-SAT-bc31ec01-10
0.224
MAR-TRE-c8530538-3
0.224
MAK-UNK-148caf23-12
0.224
MAR-TRE-67513f76-60
0.223
ALP-POS-d0876c20-12
0.223
MAR-TRE-dab8f6ea-42
0.222
MAR-TRE-6a44bbf2-34
0.222
MAR-LAB-ca4662a6-5
0.221
KEI-TRE-d5e2018a-13
0.220
MAR-TRE-2fd8122f-35
0.219
BAR-COM-4e090d3a-10
0.219