Molecular Properties | |
SMILES: | COc1ccc(C2CC(C)N(S(=O)(=O)c3cccnc3)C2)cc1 |
MW: | 332.425 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 59.5 |
cLogP: | 2.6569 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z1241530720 |
Mcule: | MCULE-6945875416 |
MolPort: | MolPort-028-279-969 |
Hetero_hetero
ALE-HEI-f28a35b5-9
AUS-ARG-7cfdce8f-17
0.400
MAR-TRE-2fd8122f-50
0.330
PEI-IMP-ca0b2813-1
0.325
MAR-TRE-f5c2d31c-79
0.298
MAR-TRE-2fd8122f-13
0.297
MAR-TRE-c8530538-91
0.286
MAR-TRE-d0525fbf-90
0.284
WIL-UNI-5578df48-5
0.284
MAR-TRE-d0525fbf-92
0.283
KEI-TRE-d5e2018a-95
0.283
MAR-TRE-2fd8122f-48
0.283
KEI-TRE-d5e2018a-84
0.276
KEI-TRE-d5e2018a-27
0.275
MAR-TRE-7f7bb9f0-16
0.275
MAR-TRE-74c6519b-56
0.273
KEI-TRE-d5e2018a-88
0.273
MAR-TRE-2fd8122f-75
0.272
KEI-TRE-d5e2018a-57
0.272
ANT-OPE-a517596a-1
0.272
MAK-UNK-de9577cf-8
0.270
MAK-UNK-de9577cf-2
0.266
MAK-UNK-de9577cf-1
0.263
KEI-TRE-d5e2018a-92
0.263
MAR-TRE-2fd8122f-64
0.263
MAR-TRE-2fd8122f-55
0.262
MAK-UNK-7c9d1431-17
0.262
NIM-UNI-13494739-8
0.261
MAK-UNK-de9577cf-7
0.261
MAT-POS-b5746674-31
0.260
MAR-TRE-7f7bb9f0-90
0.258
MAK-UNK-8fdbca50-37
0.258
MAR-TRE-fd17a9b8-92
0.257
MAK-UNK-de9577cf-4
0.257
AUS-ARG-7cfdce8f-1
0.256
MAR-TRE-b77b7921-85
0.255
MAR-TRE-d0525fbf-55
0.255
WIL-UNI-5578df48-39
0.255
LIZ-THE-6efed59f-3
0.254
MAT-POS-b5746674-56
0.253
MAR-TRE-4b834d9a-42
0.253
MAR-TRE-2fd8122f-6
0.253
MAR-TRE-2fd8122f-10
0.253
DAN-MCD-0c04f563-1
0.252
MAK-UNK-0955449e-33
0.252
MAK-UNK-de9577cf-3
0.252
KEI-UNI-85a52787-5
0.252
KEI-UNI-85a52787-1
0.252
MAK-UNK-148caf23-12
0.250
KEI-TRE-d5e2018a-93
0.250
MAK-UNK-de9577cf-6
0.250
MAK-UNK-9a6be56d-29
0.250
MAK-UNK-148caf23-21
0.248
KEI-UNI-85a52787-2
0.248
MAK-UNK-0955449e-32
0.248
MAK-UNK-8fdbca50-3
0.246
MAK-UNK-148caf23-6
0.246
MAK-UNK-148caf23-4
0.246
MAK-UNK-148caf23-20
0.246
MAK-UNK-148caf23-11
0.246
KEI-UNI-85a52787-9
0.246
KEI-TRE-d5e2018a-49
0.245
MAR-TRE-7f7bb9f0-6
0.245
MAK-UNK-009ebe36-2
0.245
MAR-TRE-3159af1a-91
0.244
MAK-UNK-8fdbca50-30
0.244
KEI-UNI-85a52787-10
0.243
KEI-UNI-85a52787-3
0.243
KEI-TRE-d5e2018a-53
0.243
KEI-TRE-d5e2018a-64
0.243
MAK-UNK-702fb7d3-21
0.242
RAL-MED-9a5eb9cb-6
0.242
MAK-UNK-9a6be56d-32
0.242
MAK-UNK-de9577cf-13
0.241
RAL-MED-9a5eb9cb-8
0.240
MAK-UNK-8fdbca50-27
0.240
MAK-UNK-9a6be56d-30
0.240
MAK-UNK-8fdbca50-2
0.240
NIM-UNI-13494739-7
0.240
TAT-ENA-80bfd3e5-17
0.240
MAK-UNK-148caf23-22
0.239
MAK-UNK-148caf23-23
0.239
MAK-UNK-de9577cf-5
0.239
ANT-OPE-7824651a-1
0.239
MAK-UNK-8fdbca50-36
0.238
MAK-UNK-702fb7d3-18
0.238
MAK-UNK-8fdbca50-12
0.238
MAK-UNK-9a6be56d-21
0.238
MAK-UNK-148caf23-5
0.237
MAR-TRE-04c86cea-46
0.237
MAK-UNK-702fb7d3-14
0.237
AGN-NEW-891393a6-4
0.237
RAL-MED-9a5eb9cb-7
0.237
MAK-UNK-8fdbca50-33
0.236
MAK-UNK-8fdbca50-32
0.236
MAK-UNK-8fdbca50-39
0.236
MAK-UNK-8fdbca50-14
0.236
ALE-EST-30179844-1
0.236
MAK-UNK-9a6be56d-12
0.236
JOH-IMS-62aeb97d-1
0.235
MAK-UNK-de9577cf-9
0.235