Molecular Properties | |
SMILES: | N#Cc1ccc(CSc2nc3ccccc3c(=O)[nH]2)cc1 |
MW: | 293.06 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.54 |
cLogP: | 3.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3923984791 |
MolPort: | MolPort-001-008-571 |
MAR-TRE-14ce9fd6-21
0.507
MAR-TRE-14ce9fd6-73
0.481
MAR-TRE-14ce9fd6-33
0.480
MAR-TRE-14ce9fd6-44
0.465
MAR-TRE-14ce9fd6-38
0.461
MAR-TRE-14ce9fd6-47
0.461
MAR-TRE-14ce9fd6-52
0.426
MAR-TRE-14ce9fd6-84
0.400
MAR-TRE-a3327163-9
0.372
MAR-TRE-1c920f6f-39
0.367
MAR-TRE-14ce9fd6-29
0.362
MAR-TRE-14ce9fd6-25
0.345
MAR-TRE-14ce9fd6-34
0.338
MAR-TRE-14ce9fd6-35
0.337
MAR-TRE-14ce9fd6-41
0.333
MAR-TRE-14ce9fd6-55
0.329
MAR-TRE-14ce9fd6-62
0.319
MAR-TRE-1c920f6f-65
0.318
RAL-THA-2d450e86-5
0.318
MAR-TRE-14ce9fd6-8
0.314
MAR-TRE-14ce9fd6-9
0.302
MAR-TRE-1c920f6f-43
0.298
MAR-TRE-c8530538-76
0.290
MAR-TRE-1c920f6f-27
0.286
MAR-TRE-c8530538-92
0.281
MAR-TRE-a3327163-36
0.280
MAR-TRE-14ce9fd6-31
0.279
MAR-TRE-c8530538-55
0.278
MAR-TRE-14ce9fd6-24
0.273
MAR-TRE-f5c2d31c-30
0.272
MAR-TRE-0fda4e82-70
0.270
MAR-TRE-c8530538-4
0.269
MAR-TRE-0fda4e82-10
0.268
JUA-UNI-b93289a4-5
0.268
MAR-TRE-c8530538-50
0.265
MAR-TRE-c8530538-71
0.265
MAR-TRE-1c920f6f-97
0.264
JUA-UNI-a9dfaed1-5
0.263
MAR-TRE-14ce9fd6-95
0.263
MAK-UNK-f983951f-23
0.260
MAR-TRE-c8530538-86
0.260
MAR-TRE-c8530538-97
0.260
MAR-TRE-c8530538-26
0.258
MAR-TRE-c8530538-68
0.257
MAR-TRE-0fda4e82-40
0.256
MAR-TRE-c8530538-10
0.255
MAR-TRE-14ce9fd6-58
0.253
MAR-TRE-a3327163-76
0.253
MAR-TRE-c8530538-73
0.250
MAR-TRE-c8530538-16
0.250
WAR-XCH-bdd24732-18
0.245
UNK-UNK-2ede4078-17
0.244
MAR-TRE-14ce9fd6-30
0.244
MAR-TRE-14ce9fd6-65
0.244
MAR-TRE-0fda4e82-24
0.242
MAR-TRE-14ce9fd6-48
0.242
TRY-UNI-1fd04853-8
0.239
RAL-THA-2d450e86-17
0.237
MAT-POS-cc05818f-1
0.237
RAL-THA-2d450e86-12
0.234
EDJ-MED-ee07cf00-5
0.233
MAR-TRE-14ce9fd6-50
0.233
KRI-MAR-d2e3ef86-17
0.231
MAR-TRE-1c920f6f-31
0.227
MAR-TRE-0fda4e82-58
0.226
MAR-TRE-0fda4e82-62
0.225
MAR-TRE-2fd8122f-69
0.225
MAR-TRE-1c920f6f-14
0.225
MAR-TRE-a3327163-92
0.224
MAR-TRE-6c5ef77a-2
0.224
MAR-TRE-fd17a9b8-51
0.224
MAK-UNK-9955b1f3-12
0.224
MAR-TRE-0fda4e82-60
0.222
EDJ-MED-ee07cf00-8
0.221
MAR-TRE-f5c2d31c-3
0.221
MAR-TRE-14ce9fd6-77
0.221
MAR-TRE-14ce9fd6-16
0.220
LON-WEI-4d77710c-72
0.220
MAT-POS-ea426761-13
0.220
LON-WEI-5e7d1b3e-72
0.220
MAR-TRE-1c920f6f-52
0.220
RED-RED-10c9212c-27
0.219
DAR-DIA-23aa0b97-19
0.219
MAR-TRE-0fda4e82-11
0.218
MAR-TRE-6c5ef77a-12
0.218
MAR-TRE-14ce9fd6-10
0.217
MAR-TRE-1c920f6f-92
0.217
ALP-UNI-ed5cdfd2-7
0.216
ALP-POS-780445ae-5
0.216
MAR-TRE-1c920f6f-75
0.216
MAR-TRE-0fda4e82-14
0.216
MAR-TRE-0fda4e82-67
0.216
MAR-TRE-1c920f6f-99
0.215
DAR-DIA-0d514e7d-8
0.215
DAR-DIA-0d514e7d-11
0.215
HAO-BIO-c9aafde3-4
0.214
MAR-TRE-1c920f6f-33
0.214
MAR-TRE-0fda4e82-93
0.214
ERI-UCB-a0b0dbcb-14
0.214
PET-SGC-0f1d26ed-2
0.213