Molecular Properties | |
SMILES: | Cc1ccc(C)c(NC(=O)CSc2nc(C)cc(O)n2)c1 |
MW: | 303.1 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 75.11 |
cLogP: | 2.84 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7446523901 |
MolPort: | MolPort-001-888-394 |
MAR-TRE-f5c2d31c-49
0.577
MAR-TRE-f5c2d31c-44
0.543
MAR-TRE-f5c2d31c-84
0.467
MAR-TRE-f5c2d31c-100
0.440
MAR-TRE-f5c2d31c-14
0.432
MAR-TRE-f5c2d31c-69
0.376
MAR-TRE-f5c2d31c-94
0.372
JAG-UCB-ef2c0e8e-9
0.365
MAR-TRE-f5c2d31c-67
0.325
MAR-TRE-74c6519b-33
0.320
MAR-TRE-1c920f6f-31
0.317
MAR-TRE-0fda4e82-73
0.312
MAR-TRE-f5c2d31c-15
0.312
MAR-TRE-04c86cea-24
0.311
MAR-TRE-f6f5f473-57
0.305
KOV-VNK-5e1a909f-29
0.302
MAR-TRE-14ce9fd6-51
0.296
MAR-TRE-f5c2d31c-10
0.296
KOV-VNK-5e1a909f-21
0.294
MAR-TRE-f5c2d31c-17
0.289
MAR-TRE-fd17a9b8-78
0.289
MAR-TRE-f5c2d31c-65
0.287
KOV-VNK-5e1a909f-26
0.286
MAR-TRE-f5c2d31c-76
0.284
MAR-TRE-a3327163-43
0.276
MAR-TRE-f5c2d31c-97
0.276
MAR-TRE-f5c2d31c-32
0.275
MAT-POS-c20a539d-6
0.272
MAT-POS-29385cc1-3
0.272
TER-UNK-b9d4d16f-3
0.270
MAR-TRE-a3327163-20
0.270
MAR-TRE-a3327163-18
0.268
AAR-UNI-c25c2f1e-55
0.263
MAR-TRE-1c920f6f-20
0.261
MAR-TRE-a3327163-46
0.261
MAR-TRE-0fda4e82-60
0.260
PET-SGC-6e7c5dc0-1
0.259
RUB-POS-1325a9ea-4
0.258
MAK-UNK-6ca90168-26
0.257
ALE-HEI-f28a35b5-12
0.253
GAB-REV-70cc3ca5-21
0.253
MAR-TRE-6c5ef77a-96
0.253
MIC-UNK-50cce87d-3
0.250
MAR-TRE-a3327163-88
0.250
MAR-TRE-1c920f6f-100
0.250
RUB-POS-1325a9ea-3
0.250
EDJ-MED-c9f55a56-1
0.250
GAB-REV-70cc3ca5-12
0.250
MAR-TRE-6c5ef77a-14
0.247
BAR-COM-0f94fc3d-41
0.247
ALP-POS-f13221e1-4
0.247
MAT-POS-590ac91e-17
0.247
JAN-GHE-83b26c96-11
0.247
IND-SYN-2c708b29-4
0.247
BAR-COM-0f94fc3d-18
0.245
PET-UNK-e274cad4-1
0.245
RUB-POS-1325a9ea-14
0.245
MAR-TRE-a3327163-29
0.244
PET-UNK-8df914d1-3
0.244
TRY-UNI-714a760b-6
0.244
BEN-DND-93268d01-13
0.244
MAT-POS-590ac91e-6
0.244
MAR-TRE-1c920f6f-4
0.243
MAR-TRE-1c920f6f-95
0.242
RAL-THA-2d450e86-13
0.242
MAK-UNK-372b0df5-3
0.241
RAL-THA-2d450e86-3
0.241
AHN-SAT-de2502ba-10
0.241
BAR-COM-0f94fc3d-47
0.240
MAR-TRE-0fda4e82-67
0.240
LON-WEI-120e5cf5-7
0.240
MAR-TRE-a3327163-80
0.239
PET-UNK-e274cad4-6
0.239
AHN-SAT-de2502ba-9
0.239
MAR-TRE-9c797165-76
0.239
BEN-DND-09b88bf4-5
0.238
BEN-DND-93268d01-11
0.238
MAR-TRE-7f7bb9f0-48
0.238
BEN-DND-93268d01-9
0.238
MAR-TRE-6c5ef77a-28
0.237
RAL-THA-6b94ceba-13
0.237
RAL-THA-2d450e86-27
0.237
VLA-UCB-00f2c2b3-2
0.237
NIR-THE-b7e8e081-1
0.236
MAR-TRE-9c797165-49
0.236
EDG-MED-0da5ad92-16
0.235
BEN-DND-93268d01-10
0.235
MAR-TRE-a3327163-21
0.235
JAG-UCB-a3ef7265-16
0.235
ALE-HEI-f28a35b5-10
0.235
PET-UNK-f4e47ebd-2
0.235
MAR-TRE-a3327163-82
0.234
RAL-THA-2d450e86-8
0.234
RAL-THA-2d450e86-15
0.234
BEN-DND-6de5dfa0-16
0.233
NIR-THE-b7e8e081-2
0.233
MAR-TRE-fd17a9b8-14
0.233
MAR-TRE-f5c2d31c-16
0.233
EDG-MED-0da5ad92-8
0.233
EDJ-MED-3c65e9ce-1
0.233