Molecular Properties | |
SMILES: | NC(=O)c1cc(S(=O)(=O)N2CCC(C(=O)O)CC2)cs1 |
MW: | 318.03 |
Fraction sp3: | 0.45 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 117.77 |
cLogP: | 0.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3577009435 |
MolPort: | MolPort-008-386-583 |
Hetero_hetero
MAR-TRE-fd17a9b8-16
0.784
MAR-TRE-fd17a9b8-42
0.702
MAR-TRE-fd17a9b8-64
0.500
MAR-TRE-fd17a9b8-100
0.384
GIA-UNK-5ec6c2b8-4
0.377
KEI-TRE-d5e2018a-52
0.346
BEN-DND-76ad4ac9-1
0.338
MAR-TRE-3159af1a-50
0.338
MAR-TRE-c317dd82-78
0.333
MAR-TRE-fd17a9b8-86
0.324
GIA-UNK-eaadd1d4-3
0.315
BEN-DND-76ad4ac9-6
0.314
MAR-TRE-fd17a9b8-47
0.312
MAR-TRE-fd17a9b8-27
0.311
MAR-TRE-fd17a9b8-93
0.303
MAR-TRE-fd17a9b8-50
0.296
MAR-TRE-fd17a9b8-4
0.296
JAG-UCB-ef2c0e8e-8
0.293
MAR-TRE-fd17a9b8-22
0.282
MAR-TRE-d0525fbf-90
0.282
MAR-TRE-fd17a9b8-56
0.281
GIA-UNK-595fac82-4
0.274
MAR-TRE-3159af1a-54
0.274
MAT-POS-b5746674-53
0.270
KEI-TRE-d5e2018a-38
0.267
BEN-DND-76ad4ac9-2
0.264
CLI-UNI-032f7715-4
0.262
PEI-IMP-3d837503-4
0.257
MAR-TRE-fd17a9b8-2
0.256
KEI-TRE-d5e2018a-73
0.256
MAK-UNK-6435e6c2-10
0.254
MAK-UNK-6435e6c2-11
0.254
MAK-UNK-4c6b313a-1
0.254
WAR-XCH-b72a1bbc-14
0.254
DRA-CSI-47e38074-11
0.253
MAR-TRE-fd17a9b8-92
0.253
AHN-SAT-02ef6d10-5
0.250
DRA-CSI-7ec17797-4
0.250
WAR-XCH-b72a1bbc-37
0.250
HIR-FOR-a67ea703-1
0.248
MAR-TRE-3159af1a-80
0.247
MAR-TRE-4b834d9a-65
0.247
PEI-IMP-3d837503-2
0.243
DRA-CSI-47e38074-2
0.242
MAR-TRE-3e4e6814-23
0.241
MAR-TRE-2fd8122f-33
0.240
DRA-CSI-7ec17797-18
0.240
MAK-UNK-7c9d1431-9
0.239
SAD-SAT-bc31ec01-9
0.239
MAR-TRE-6a44bbf2-21
0.239
DRA-CSI-47e38074-5
0.239
MAR-TRE-fd17a9b8-6
0.239
SAD-SAT-f2e2579e-5
0.238
ANT-OPE-7824651a-2
0.237
AAR-POS-fca48359-5
0.237
MAK-UNK-10dfa458-18
0.236
MAR-TRE-2fd8122f-29
0.236
MAK-UNK-c74072e5-9
0.233
MAT-POS-ee51dedd-2
0.233
PEI-IMP-3d837503-5
0.233
MAK-UNK-10dfa458-46
0.233
MAR-TRE-74c6519b-66
0.232
ALE-MCD-a1893bfb-1
0.232
WAR-XCH-b6889685-22
0.232
SAD-SAT-2fd372d1-6
0.231
MAR-TRE-fd17a9b8-59
0.231
DRA-CSI-47e38074-10
0.231
DRA-CSI-3ab97369-1
0.231
MAR-TRE-04c86cea-46
0.230
DRA-CSI-3ab97369-7
0.229
WAR-XCH-b72a1bbc-40
0.229
AHN-SAT-de2502ba-11
0.229
MAK-UNK-6435e6c2-1
0.229
MAK-UNK-69bf97dd-1
0.228
MAR-TRE-fd17a9b8-53
0.228
MAK-UNK-7c9d1431-19
0.228
AHN-SAT-de2502ba-17
0.228
MAK-UNK-69bf97dd-5
0.226
AHN-SAT-de2502ba-10
0.225
PEI-IMP-3d837503-1
0.225
MAK-UNK-009ebe36-3
0.225
SAD-SAT-135344c3-4
0.225
MAR-TRE-d3c2bf0e-4
0.224
GIA-UNK-eaadd1d4-2
0.224
WAR-XCH-b72a1bbc-20
0.224
MAK-UNK-c74072e5-8
0.224
WAR-XCH-b6889685-16
0.224
MAK-UNK-6435e6c2-5
0.222
AAR-POS-0daf6b7e-32
0.222
MAR-TRE-2fd8122f-19
0.222
MAR-TRE-fd17a9b8-17
0.222
SAD-SAT-135344c3-5
0.222
GIA-UNK-5ec6c2b8-5
0.222
JAR-KUA-41bd5a3d-4
0.222
MAT-POS-b5746674-54
0.222
SAD-SAT-f2e2579e-3
0.221
MAR-TRE-7f7bb9f0-33
0.221
HEI-REL-0c990a45-3
0.221
ZAC-MCD-2bc172dc-1
0.221
WAR-XCH-b72a1bbc-19
0.221