Molecular Properties | |
SMILES: | C#CCSc1nc2c(cc1C#N)CCC2 |
MW: | 214.06 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 36.68 |
cLogP: | 2.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8140866126 |
MolPort: | MolPort-001-487-008 |
triple bond
triple_bond
MAR-TRE-14ce9fd6-96
0.827
MAR-TRE-14ce9fd6-75
0.638
MAR-TRE-1c920f6f-38
0.617
MAR-TRE-14ce9fd6-76
0.617
MAR-TRE-14ce9fd6-80
0.617
MAR-TRE-14ce9fd6-18
0.569
MAR-TRE-0fda4e82-13
0.536
MAR-TRE-14ce9fd6-79
0.524
MAR-TRE-14ce9fd6-19
0.516
MAR-TRE-14ce9fd6-20
0.508
MAR-TRE-14ce9fd6-81
0.508
MAR-TRE-1c920f6f-25
0.508
MAR-TRE-14ce9fd6-90
0.500
MAR-TRE-14ce9fd6-40
0.493
MAR-TRE-14ce9fd6-22
0.493
MAR-TRE-0fda4e82-68
0.487
MAR-TRE-14ce9fd6-11
0.478
MAR-TRE-1c920f6f-19
0.468
MAR-TRE-1c920f6f-17
0.458
MAR-TRE-14ce9fd6-12
0.458
MAR-TRE-14ce9fd6-14
0.458
MAR-TRE-14ce9fd6-42
0.453
MAR-TRE-14ce9fd6-91
0.452
MAR-TRE-1c920f6f-15
0.446
MAR-TRE-1c920f6f-56
0.446
MAR-TRE-1c920f6f-11
0.434
MAR-TRE-14ce9fd6-5
0.414
MAR-TRE-0fda4e82-36
0.410
MAR-TRE-14ce9fd6-93
0.407
MAR-TRE-14ce9fd6-7
0.398
MAR-TRE-1c920f6f-1
0.398
MAR-TRE-1c920f6f-58
0.393
MAR-TRE-14ce9fd6-6
0.388
MAR-TRE-1c920f6f-68
0.384
MAR-TRE-14ce9fd6-46
0.378
MAR-TRE-0fda4e82-46
0.333
MAR-TRE-6c5ef77a-27
0.329
MAR-TRE-1c920f6f-16
0.312
MAR-TRE-1c920f6f-13
0.300
MAR-TRE-1c920f6f-85
0.296
MAR-TRE-14ce9fd6-70
0.250
MAR-TRE-14ce9fd6-15
0.241
MAR-TRE-6c5ef77a-48
0.227
MAR-TRE-6c5ef77a-31
0.224
MAR-TRE-14ce9fd6-86
0.221
MAR-TRE-6c5ef77a-71
0.220
MAR-TRE-a3327163-24
0.217
MAR-TRE-a3327163-37
0.214
MAR-TRE-0fda4e82-6
0.214
MAR-TRE-14ce9fd6-33
0.214
MAR-TRE-6c5ef77a-8
0.212
MAR-TRE-1c920f6f-86
0.212
MAR-TRE-1c920f6f-61
0.211
MAR-TRE-1c920f6f-18
0.205
MAR-TRE-0fda4e82-30
0.203
MAR-TRE-14ce9fd6-4
0.203
MAR-TRE-14ce9fd6-21
0.202
MAR-TRE-a3327163-82
0.202
MAR-TRE-a3327163-71
0.200
MAR-TRE-14ce9fd6-35
0.200
MAR-TRE-a3327163-21
0.200
MAR-TRE-1c920f6f-96
0.198
MAR-TRE-14ce9fd6-50
0.198
MAR-TRE-1c920f6f-63
0.197
MAR-TRE-6c5ef77a-89
0.197
MAR-TRE-0fda4e82-12
0.195
MAR-TRE-14ce9fd6-53
0.195
MAR-TRE-d0525fbf-93
0.194
MAR-TRE-14ce9fd6-83
0.194
MAR-TRE-a3327163-41
0.193
MAR-TRE-0fda4e82-69
0.192
MAR-TRE-14ce9fd6-65
0.192
MAR-TRE-1c920f6f-54
0.192
MAR-TRE-6c5ef77a-60
0.192
MAR-TRE-a3327163-55
0.191
MAR-TRE-a3327163-1
0.191
MAR-TRE-1c920f6f-100
0.191
MAR-TRE-0fda4e82-84
0.191
MAR-TRE-4f781e27-98
0.190
MAR-TRE-fd17a9b8-23
0.189
MAR-TRE-1c920f6f-66
0.188
MAR-TRE-6c5ef77a-84
0.186
MAR-TRE-1c920f6f-29
0.186
MAR-TRE-0fda4e82-82
0.186
MAR-TRE-1c920f6f-94
0.186
MAR-TRE-1c920f6f-53
0.186
MAR-TRE-0fda4e82-79
0.186
MAR-TRE-6c5ef77a-18
0.185
MAR-TRE-14ce9fd6-77
0.185
MAR-TRE-1c920f6f-82
0.185
AAR-RCN-9f0de475-1
0.185
MAR-TRE-6c5ef77a-5
0.184
MAR-TRE-a3327163-13
0.184
MAR-TRE-14ce9fd6-23
0.184
MAR-TRE-a3327163-8
0.183
MAR-TRE-a3327163-25
0.183
MAR-TRE-6c5ef77a-68
0.183
MAR-TRE-0fda4e82-31
0.183
MAR-TRE-0fda4e82-63
0.183
MAR-TRE-14ce9fd6-48
0.182