Molecular Properties | |
SMILES: | N#Cc1cc2c(nc1SCc1ccncc1)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-2464908101 |
MolPort: | MolPort-000-922-321 |
MAR-TRE-14ce9fd6-18
0.823
MAR-TRE-14ce9fd6-42
0.690
MAR-TRE-14ce9fd6-93
0.603
MAR-TRE-14ce9fd6-22
0.586
MAR-TRE-14ce9fd6-91
0.530
MAR-TRE-14ce9fd6-79
0.529
MAR-TRE-14ce9fd6-96
0.514
MAR-TRE-14ce9fd6-20
0.514
MAR-TRE-1c920f6f-56
0.513
MAR-TRE-1c920f6f-15
0.513
MAR-TRE-1c920f6f-11
0.500
MAR-TRE-14ce9fd6-19
0.500
MAR-TRE-1c920f6f-25
0.493
MAR-TRE-14ce9fd6-81
0.493
MAR-TRE-1c920f6f-58
0.488
MAR-TRE-14ce9fd6-90
0.488
MAR-TRE-14ce9fd6-75
0.472
MAR-TRE-14ce9fd6-14
0.468
MAR-TRE-14ce9fd6-11
0.468
MAR-TRE-14ce9fd6-5
0.467
MAR-TRE-14ce9fd6-6
0.466
MAR-TRE-1c920f6f-1
0.460
MAR-TRE-1c920f6f-38
0.459
MAR-TRE-14ce9fd6-92
0.458
MAR-TRE-1c920f6f-17
0.450
MAR-TRE-14ce9fd6-40
0.447
MAR-TRE-14ce9fd6-80
0.440
MAR-TRE-14ce9fd6-76
0.440
MAR-TRE-14ce9fd6-46
0.430
MAR-TRE-14ce9fd6-7
0.411
MAR-TRE-0fda4e82-36
0.407
MAR-TRE-0fda4e82-46
0.398
MAR-TRE-0fda4e82-13
0.393
MAR-TRE-1c920f6f-19
0.380
MAR-TRE-0fda4e82-68
0.366
MAR-TRE-14ce9fd6-48
0.307
MAR-TRE-14ce9fd6-65
0.300
MAR-TRE-1c920f6f-16
0.287
MAR-TRE-14ce9fd6-50
0.286
MAR-TRE-6c5ef77a-27
0.277
MAR-TRE-14ce9fd6-77
0.274
MAR-TRE-14ce9fd6-35
0.270
MAR-TRE-fd17a9b8-23
0.269
MAR-TRE-1c920f6f-13
0.264
MAR-TRE-14ce9fd6-21
0.258
MAR-TRE-1c920f6f-68
0.258
MAR-TRE-14ce9fd6-83
0.258
MAR-TRE-1c920f6f-85
0.256
MAR-TRE-14ce9fd6-33
0.256
MAR-TRE-14ce9fd6-23
0.253
MAR-TRE-1c920f6f-27
0.250
MAR-TRE-1c920f6f-39
0.250
MAR-TRE-14ce9fd6-57
0.250
MAR-TRE-14ce9fd6-15
0.239
MAR-TRE-0fda4e82-23
0.239
MAR-TRE-1c920f6f-61
0.237
MAR-TRE-0fda4e82-12
0.237
MAR-TRE-1c920f6f-14
0.233
MAR-TRE-a3327163-73
0.232
MAR-TRE-14ce9fd6-52
0.222
MAR-TRE-1c920f6f-34
0.221
MAR-TRE-14ce9fd6-70
0.218
MAR-TRE-a3327163-5
0.216
MAR-TRE-a3327163-37
0.215
MAR-TRE-14ce9fd6-29
0.215
MAR-TRE-0fda4e82-82
0.215
MAR-TRE-14ce9fd6-41
0.213
MAR-TRE-6c5ef77a-31
0.209
MAR-TRE-14ce9fd6-55
0.207
MAR-TRE-a3327163-67
0.207
MAR-TRE-14ce9fd6-4
0.205
MAR-TRE-a3327163-90
0.204
MAR-TRE-a3327163-24
0.203
MAR-TRE-14ce9fd6-84
0.202
MAR-TRE-1c920f6f-82
0.200
MAR-TRE-1c920f6f-86
0.200
MAR-TRE-1c920f6f-96
0.200
MAR-TRE-14ce9fd6-1
0.200
MAR-TRE-14ce9fd6-9
0.200
MAR-TRE-0fda4e82-63
0.198
SAD-SAT-89668ff1-5
0.198
MAR-TRE-6c5ef77a-48
0.198
ABI-SAT-aa268ad7-2
0.198
MAT-POS-b5746674-18
0.197
MAR-TRE-d0525fbf-93
0.196
MAR-TRE-14ce9fd6-73
0.196
MAR-TRE-a3327163-31
0.196
VLA-UNK-9a7dc93f-2
0.194
RIC-ARG-a8e88843-6
0.194
MAR-TRE-a3327163-55
0.194
MAR-TRE-0fda4e82-84
0.194
MAR-TRE-2fd8122f-69
0.194
MAR-TRE-14ce9fd6-86
0.193
MAK-UNK-6ca90168-29
0.193
MAR-TRE-4f781e27-98
0.193
MAR-TRE-1c920f6f-4
0.193
MAR-TRE-0fda4e82-47
0.192
MAR-TRE-a3327163-82
0.192
MAR-TRE-14ce9fd6-27
0.192
BAR-COM-0f94fc3d-49
0.192