Molecular Properties | |
SMILES: | O=C(CCl)NCc1ccccc1CS(=O)(=O)N1CCOCC1 |
MW: | 346.08 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 75.71 |
cLogP: | 0.7 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1570335402 |
MolPort: | MolPort-005-311-335 |
Hetero_hetero
AHN-SAT-de2502ba-12
0.551
SAD-SAT-65574d3f-8
0.551
MAR-TRE-6a44bbf2-20
0.551
AHN-SAT-de2502ba-2
0.419
MAR-TRE-6a44bbf2-30
0.419
MAK-UNK-69bf97dd-6
0.371
TAM-UNI-d1c3dd9f-21
0.369
MAR-TRE-6a44bbf2-67
0.355
MAR-TRE-6a44bbf2-100
0.338
AHN-SAT-de2502ba-4
0.338
KEI-TRE-d5e2018a-36
0.333
MAR-TRE-6a44bbf2-83
0.333
AHN-SAT-de2502ba-13
0.333
MAR-TRE-799db12b-64
0.330
AHN-SAT-de2502ba-16
0.325
AHN-SAT-de2502ba-9
0.321
MAR-TRE-6a44bbf2-28
0.320
MAK-UNK-7c9d1431-23
0.320
SAD-SAT-135344c3-1
0.319
NIR-THE-99f25457-3
0.317
GIA-UNK-3f36037a-6
0.312
DUN-NEW-f8ce3686-21
0.310
MAR-TRE-6a44bbf2-42
0.306
MIH-UNI-e573136b-5
0.305
STU-CHA-6d5cfe2b-1
0.298
MAK-UNK-10799360-10
0.297
MAR-TRE-6a44bbf2-63
0.294
BEN-DND-76ad4ac9-9
0.293
BEN-DND-03406596-1
0.293
MAK-UNK-f983951f-21
0.290
GIA-UNK-3f36037a-2
0.289
MAK-UNK-69bf97dd-3
0.287
SAD-SAT-2ceae68f-9
0.286
MAK-UNK-69bf97dd-8
0.286
MAK-UNK-bae89c02-4
0.284
MAR-TRE-6a44bbf2-73
0.282
SAD-SAT-65574d3f-2
0.282
MAK-UNK-69bf97dd-7
0.280
DUN-NEW-f8ce3686-13
0.280
MAR-TRE-3e4e6814-54
0.280
MAR-TRE-6a44bbf2-62
0.279
MAR-TRE-fd17a9b8-62
0.278
SAD-SAT-9a6c5cf3-1
0.277
MAR-TRE-3159af1a-52
0.277
STU-CHA-6cae54d3-1
0.277
MAR-TRE-6a44bbf2-97
0.276
MAR-TRE-f5c2d31c-66
0.276
MAK-UNK-10799360-12
0.275
MAR-TRE-6a44bbf2-27
0.274
MED-COV-4280ac29-22
0.274
MAK-UNK-69bf97dd-5
0.271
JON-UIO-066ce08b-15
0.271
AAR-POS-d2a4d1df-31
0.269
GIA-UNK-eaadd1d4-3
0.268
ROB-UNI-b2e39629-11
0.268
WIL-LEE-23e8b574-1
0.267
MAR-TRE-2fd8122f-94
0.266
MAK-UNK-6ca90168-9
0.266
MAK-UNK-72659d64-11
0.266
KAI-MCD-cb49037b-1
0.266
DAR-DIA-fb20be43-16
0.265
TAM-UNI-d1c3dd9f-1
0.265
MAK-UNK-ec98eaf6-25
0.264
MAR-TRE-4f781e27-67
0.264
MAK-UNK-6ca90168-10
0.263
MAR-TRE-6a44bbf2-21
0.263
JUA-UNI-b93289a4-3
0.263
MAK-UNK-7c9d1431-9
0.263
SCO-VAN-260d9628-4
0.263
MAR-TRE-f5c2d31c-74
0.263
MAK-UNK-7c9d1431-27
0.263
MAK-UNK-5d2caa6f-20
0.262
MAR-TRE-6a44bbf2-23
0.262
RAL-THA-e002e396-9
0.261
TAM-UNI-d1c3dd9f-12
0.261
MAK-UNK-10799360-19
0.260
MAR-TRE-2fd8122f-35
0.260
MAK-UNK-72659d64-4
0.260
MAR-TRE-6a44bbf2-70
0.259
MAR-TRE-799db12b-65
0.258
PAT-GYR-de8eec61-7
0.258
STU-CHA-128b80be-1
0.257
SWA-SYN-6423ea73-2
0.256
SWA-SYN-d2e6fa14-2
0.256
GIA-UNK-20b63697-2
0.256
WIL-LEE-1f71e281-1
0.256
TAT-ENA-80bfd3e5-27
0.255
MAR-TRE-fd17a9b8-20
0.255
STU-CHA-128b80be-2
0.255
TAT-ENA-80bfd3e5-34
0.255
MAR-TRE-6a44bbf2-4
0.253
JUA-UNI-b93289a4-2
0.253
AAR-POS-d2a4d1df-32
0.253
MAK-UNK-7c9d1431-12
0.253
MAK-UNK-7c9d1431-20
0.253
LON-WEI-8f408cad-2
0.253
MAR-TRE-fd17a9b8-68
0.253
MAR-TRE-66ac689e-47
0.253
SAD-SAT-f0a2747f-7
0.253
BOG-INS-bdba9cfb-1
0.250