Molecular Properties | |
SMILES: | N#Cc1cccnc1SCC(=O)N1CCc2ccccc21 |
MW: | 295.08 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 56.99 |
cLogP: | 2.63 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8163364020 |
MolPort: | MolPort-003-828-878 |
MAR-TRE-0fda4e82-5
0.556
MAR-TRE-1c920f6f-10
0.506
MAR-TRE-1c920f6f-42
0.456
MAR-TRE-1c920f6f-3
0.444
MAR-TRE-14ce9fd6-1
0.439
MAR-TRE-1c920f6f-74
0.429
MAR-TRE-0fda4e82-90
0.425
MAR-TRE-6c5ef77a-66
0.422
MAR-TRE-1c920f6f-44
0.419
MAR-TRE-0fda4e82-89
0.414
MAR-TRE-1c920f6f-47
0.410
MAR-TRE-a3327163-15
0.405
MAR-TRE-6c5ef77a-93
0.405
MAR-TRE-1c920f6f-49
0.404
MAR-TRE-0fda4e82-76
0.402
SAD-SAT-24589cd1-7
0.400
MAR-TRE-6c5ef77a-64
0.398
MAR-TRE-6c5ef77a-26
0.395
MAR-TRE-1c920f6f-26
0.393
MAR-TRE-6c5ef77a-20
0.391
MAR-TRE-6c5ef77a-67
0.391
MAR-TRE-6c5ef77a-46
0.391
MAR-TRE-14ce9fd6-43
0.391
MAR-TRE-6c5ef77a-96
0.389
MAR-TRE-6c5ef77a-14
0.386
MAR-TRE-0fda4e82-47
0.386
MAR-TRE-14ce9fd6-27
0.386
MAR-TRE-6c5ef77a-33
0.382
MAR-TRE-1c920f6f-30
0.374
MAR-TRE-14ce9fd6-37
0.374
MAR-TRE-6c5ef77a-51
0.374
MAR-TRE-0fda4e82-29
0.374
MAR-TRE-6c5ef77a-58
0.370
MAR-TRE-0fda4e82-72
0.370
MAR-TRE-3e4e6814-37
0.366
MAR-TRE-6c5ef77a-55
0.361
MAR-TRE-0fda4e82-4
0.358
MAR-TRE-04c86cea-16
0.352
MAR-TRE-b77b7921-38
0.322
MAT-POS-b5746674-113
0.307
MAT-POS-b5746674-111
0.302
MAR-TRE-6c5ef77a-40
0.290
BRU-UNI-248b30bc-26
0.281
MAR-TRE-0fda4e82-6
0.272
MAR-TRE-04c86cea-28
0.268
MAR-TRE-1c920f6f-17
0.263
NAU-LAT-445f63e5-4
0.261
JUL-TUD-06b2044f-155
0.260
BEN-DND-6de5dfa0-13
0.260
BEN-DND-93268d01-12
0.260
MAR-TRE-1c920f6f-15
0.258
MAR-TRE-a3327163-24
0.253
MAR-TRE-1c920f6f-96
0.253
SAM-UNK-2684b532-14
0.250
MAK-UNK-3f402c2b-13
0.250
MAR-TRE-67513f76-39
0.250
MAR-TRE-a3327163-37
0.250
RED-RED-10c9212c-5
0.248
MAR-TRE-d0525fbf-93
0.248
ANT-DIA-3c79be55-1
0.247
MAR-TRE-1c920f6f-56
0.245
MAR-TRE-2fd8122f-54
0.245
MAR-TRE-14ce9fd6-19
0.244
MAR-TRE-1c920f6f-38
0.244
DAN-RED-da448e80-2
0.243
MAR-TRE-a3327163-5
0.243
MAR-TRE-14ce9fd6-20
0.242
MAR-TRE-a9136c7b-43
0.242
AAR-POS-d2a4d1df-37
0.242
MAR-TRE-1c920f6f-25
0.242
MAR-TRE-6a44bbf2-7
0.242
MAK-UNK-6ca90168-9
0.241
MAR-TRE-6a44bbf2-33
0.241
KEN-UNI-c79d77dd-1
0.241
SAD-SAT-5b1897b2-7
0.241
MAK-UNK-849bee6c-1
0.241
AAR-UNI-c25c2f1e-92
0.240
MAR-TRE-1c920f6f-13
0.240
MAR-TRE-6c5ef77a-37
0.240
MAR-TRE-14ce9fd6-48
0.240
MAR-TRE-0fda4e82-12
0.240
MAK-UNK-6ca90168-8
0.239
MAR-TRE-d0525fbf-65
0.239
MAR-TRE-0fda4e82-52
0.239
MAR-TRE-14ce9fd6-22
0.237
ANT-DIA-3c79be55-2
0.236
MAR-TRE-0fda4e82-13
0.235
MAR-TRE-1c920f6f-16
0.234
MAR-TRE-14ce9fd6-87
0.233
MAR-TRE-f6f5f473-65
0.233
MAR-TRE-92684b97-43
0.232
MAR-TRE-fd17a9b8-23
0.232
BAR-COM-4e090d3a-14
0.231
MAR-TRE-6c5ef77a-8
0.231
DAV-IMP-59dd6621-14
0.230
MAR-TRE-3e4e6814-43
0.229
MAK-UNK-849bee6c-5
0.229
KAT-FAI-9b65c29e-1
0.229
MAR-TRE-1c920f6f-75
0.228
MAR-TRE-1c920f6f-11
0.228