Molecular Properties | |
SMILES: | N#Cc1cc2c(nc1SCc1cccnc1)CCCCC2 |
MW: | 295.11 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 49.57 |
cLogP: | 3.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2265482195 |
MolPort: | MolPort-000-780-981 |
MAR-TRE-14ce9fd6-12
0.690
MAR-TRE-14ce9fd6-93
0.633
MAR-TRE-0fda4e82-46
0.608
MAR-TRE-14ce9fd6-18
0.581
MAR-TRE-14ce9fd6-90
0.537
MAR-TRE-14ce9fd6-22
0.533
MAR-TRE-14ce9fd6-91
0.500
MAR-TRE-1c920f6f-56
0.488
MAR-TRE-1c920f6f-15
0.488
MAR-TRE-14ce9fd6-96
0.486
MAR-TRE-14ce9fd6-79
0.480
MAR-TRE-1c920f6f-11
0.476
MAR-TRE-14ce9fd6-19
0.474
MAR-TRE-14ce9fd6-20
0.468
MAR-TRE-14ce9fd6-81
0.468
MAR-TRE-1c920f6f-25
0.468
MAR-TRE-14ce9fd6-92
0.453
MAR-TRE-1c920f6f-58
0.451
MAR-TRE-14ce9fd6-75
0.447
MAR-TRE-14ce9fd6-14
0.446
MAR-TRE-14ce9fd6-6
0.446
MAR-TRE-14ce9fd6-11
0.444
MAR-TRE-14ce9fd6-40
0.443
MAR-TRE-14ce9fd6-5
0.443
MAR-TRE-1c920f6f-1
0.440
MAR-TRE-1c920f6f-38
0.436
MAR-TRE-14ce9fd6-80
0.436
MAR-TRE-14ce9fd6-76
0.436
MAR-TRE-1c920f6f-17
0.429
MAR-TRE-14ce9fd6-7
0.394
MAR-TRE-0fda4e82-13
0.391
MAR-TRE-a3327163-67
0.386
MAR-TRE-1c920f6f-19
0.379
MAR-TRE-14ce9fd6-46
0.376
MAR-TRE-0fda4e82-36
0.375
MAR-TRE-0fda4e82-68
0.351
MAR-TRE-a3327163-55
0.296
MAR-TRE-14ce9fd6-57
0.281
STE-UNK-dfade101-1
0.280
MAR-TRE-0fda4e82-32
0.280
ANT-DIA-3c79be55-2
0.279
MAR-TRE-1c920f6f-16
0.275
MAR-TRE-1c920f6f-85
0.274
RIC-ARG-a8e88843-6
0.270
BEN-DND-61647d40-8
0.270
MAR-TRE-a3327163-5
0.267
MAR-TRE-14ce9fd6-48
0.266
MAR-TRE-1c920f6f-13
0.266
MAR-TRE-6c5ef77a-27
0.265
MAR-TRE-1c920f6f-68
0.261
MAR-TRE-14ce9fd6-65
0.256
MAR-TRE-c8530538-64
0.255
MAR-TRE-14ce9fd6-83
0.248
BEN-DND-61647d40-7
0.247
MAR-TRE-14ce9fd6-33
0.245
MAR-TRE-14ce9fd6-35
0.245
MAR-TRE-87acfbcc-17
0.245
MAR-TRE-14ce9fd6-50
0.244
MAR-TRE-c8530538-100
0.243
DAR-DIA-23aa0b97-6
0.242
DAR-DIA-23aa0b97-4
0.242
WAR-XCH-bdd24732-28
0.240
MAR-TRE-1c920f6f-61
0.240
MAR-TRE-2fd8122f-69
0.237
MAR-TRE-c8530538-88
0.235
MAR-TRE-a3327163-90
0.234
MAR-TRE-14ce9fd6-21
0.234
MAR-TRE-14ce9fd6-77
0.233
DRR-IMP-38dce17f-4
0.233
MAK-UNK-ca11b4f7-4
0.232
MIH-UNI-6b9ca91a-7
0.232
MAR-TRE-c8530538-17
0.230
SAD-SAT-b55127ae-4
0.230
MAR-TRE-14ce9fd6-23
0.229
MAR-TRE-1c920f6f-96
0.228
MAR-TRE-0fda4e82-12
0.227
WAR-XCH-b0339bbe-14
0.225
NAU-LAT-64f4b287-9
0.224
MAR-TRE-1c920f6f-14
0.223
CHR-SOS-59746812-6
0.223
BAR-COM-4e090d3a-55
0.223
MAK-UNK-6ca90168-23
0.221
NAU-LAT-445f63e5-4
0.220
MAR-TRE-d3c2bf0e-55
0.220
DAR-DIA-2b784ede-46
0.220
MAR-TRE-c8530538-54
0.219
ALP-POS-95b75b4d-9
0.219
SAD-SAT-24589cd1-5
0.219
MAT-POS-3d050446-1
0.218
MAR-TRE-0fda4e82-1
0.218
AGN-NEW-891393a6-9
0.216
MAR-TRE-14ce9fd6-15
0.216
MAR-TRE-14ce9fd6-10
0.216
MAT-POS-ea426761-26
0.216
JUL-TUD-06b2044f-78
0.215
WAR-XCH-b0339bbe-21
0.215
ALP-POS-b0bc6a46-20
0.214
ALP-POS-02c6a514-35
0.214
BAR-COM-4e090d3a-8
0.214
BEN-DND-61647d40-9
0.214