Molecular Properties | |
SMILES: | CCCNC(=O)c1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1OC |
MW: | 383.15 |
Fraction sp3: | 0.53 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 118.8 |
cLogP: | 0.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5716556974 |
MolPort: | MolPort-008-388-048 |
Hetero_hetero
MAR-TRE-fd17a9b8-50
0.821
MAR-TRE-fd17a9b8-47
0.735
MAR-TRE-fd17a9b8-4
0.694
MAR-TRE-fd17a9b8-100
0.595
MAR-TRE-fd17a9b8-2
0.413
KEI-TRE-d5e2018a-53
0.404
MAK-UNK-7c9d1431-19
0.390
MAR-TRE-fd17a9b8-92
0.374
MAR-TRE-fd17a9b8-16
0.367
MAR-TRE-fd17a9b8-60
0.367
MAR-TRE-fd17a9b8-90
0.355
MAR-TRE-fd17a9b8-83
0.337
MAR-TRE-fd17a9b8-56
0.337
BEN-DND-76ad4ac9-6
0.329
MAR-TRE-fd17a9b8-8
0.326
MAR-TRE-799db12b-5
0.326
JAG-UCB-ef2c0e8e-8
0.326
MAR-TRE-fd17a9b8-82
0.319
MAR-TRE-fd17a9b8-64
0.312
MAR-TRE-6a44bbf2-45
0.300
MAK-UNK-7c9d1431-30
0.300
MAR-TRE-fd17a9b8-46
0.295
AHN-SAT-de2502ba-10
0.292
MAR-TRE-4f781e27-67
0.292
MAR-TRE-fd17a9b8-95
0.289
MAK-UNK-69bf97dd-1
0.287
BEN-DND-76ad4ac9-1
0.286
MAR-TRE-fd17a9b8-15
0.282
AHN-SAT-de2502ba-17
0.281
MAR-TRE-fd17a9b8-42
0.281
MAK-UNK-7c9d1431-8
0.279
MAR-TRE-6a44bbf2-26
0.279
GIA-UNK-5ec6c2b8-4
0.278
MAR-TRE-8190bb11-100
0.278
MAR-TRE-6a44bbf2-42
0.277
MAR-TRE-2fd8122f-55
0.276
AHN-SAT-de2502ba-9
0.275
PEI-IMP-ca0b2813-3
0.275
KEI-TRE-d5e2018a-73
0.275
AHN-SAT-de2502ba-19
0.273
SIM-SYN-3099a863-1
0.273
BEN-DND-76ad4ac9-2
0.271
JAY-UNK-11f5bdbd-1
0.271
AHN-SAT-de2502ba-18
0.267
MAR-TRE-c317dd82-78
0.265
KEI-TRE-d5e2018a-13
0.265
GIA-UNK-595fac82-4
0.264
MAK-UNK-7c9d1431-17
0.264
MAR-TRE-74c6519b-66
0.264
ABB-MCD-f8003a30-1
0.261
MAR-TRE-6a44bbf2-32
0.261
DRA-CSI-7ec17797-19
0.261
KEI-TRE-d5e2018a-10
0.260
MAK-UNK-69bf97dd-5
0.260
MAR-TRE-2fd8122f-33
0.259
JAG-UCB-ef2c0e8e-6
0.258
MAR-TRE-a9136c7b-64
0.258
WAR-XCH-72a8c209-3
0.258
DRA-CSI-3ab97369-6
0.256
MAT-POS-b5746674-56
0.256
AHN-SAT-de2502ba-6
0.256
MAR-TRE-6a44bbf2-43
0.256
MAR-TRE-a9136c7b-65
0.255
LON-WEI-b2874fec-13
0.255
HIR-FOR-a67ea703-1
0.254
MAK-UNK-7c9d1431-26
0.253
MAR-TRE-6a44bbf2-22
0.253
AHN-SAT-de2502ba-11
0.253
SAD-SAT-f2e2579e-7
0.252
MAT-POS-b5746674-53
0.252
DRA-CSI-3ab97369-3
0.252
MED-UNK-7e7dab56-7
0.250
DRA-CSI-3ab97369-5
0.250
MAR-TRE-2fd8122f-35
0.250
MAR-TRE-e86a56b5-8
0.250
SAD-SAT-2fd372d1-10
0.250
AHN-SAT-de2502ba-5
0.250
MAK-UNK-69bf97dd-9
0.250
MAK-UNK-c74072e5-8
0.250
SAD-SAT-9a6c5cf3-6
0.250
AHN-SAT-de2502ba-16
0.250
DRA-CSI-7ec17797-18
0.248
HEI-REL-0c990a45-2
0.247
SAD-SAT-f2e2579e-5
0.247
MAK-UNK-7c9d1431-3
0.247
TAT-ENA-80bfd3e5-25
0.247
DRR-IMP-dff87f5e-2
0.247
MAK-UNK-7c9d1431-4
0.247
MED-UNK-7e7dab56-2
0.247
MAK-UNK-7c9d1431-10
0.247
SAD-SAT-f2e2579e-2
0.245
MAR-TRE-e86a56b5-12
0.245
DAR-DIA-8e329c92-2
0.245
JOH-UNI-abfda500-3
0.245
SAD-SAT-9a6c5cf3-2
0.245
SAD-SAT-29425be4-6
0.245
JUL-TUD-06b2044f-114
0.245
CLI-TLC-bf000c24-1
0.245
MAR-TRE-d0525fbf-90
0.245
SAD-SAT-2fd372d1-3
0.244