Molecular Properties | |
SMILES: | N#Cc1c(N)nc(SCC(=O)Nc2cccnc2Cl)c(C#N)c1C1CC1 |
MW: | 384.06 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 128.48 |
cLogP: | 3.06 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1517967135 |
MolPort: | MolPort-019-554-628 |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-chloropyridine
aniline
too many cyano Groups (>1)
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
MAR-TRE-d0525fbf-93
0.570
MAR-TRE-9c797165-27
0.400
MAR-TRE-3e4e6814-95
0.400
SID-ELM-8b394441-4
0.395
AAR-POS-0daf6b7e-20
0.390
MAR-TRE-4b834d9a-29
0.380
MAR-TRE-9c797165-49
0.377
MAR-TRE-7f7bb9f0-23
0.375
MAK-UNK-a7b37c5e-3
0.369
MAR-TRE-7f7bb9f0-42
0.369
MAR-TRE-7f7bb9f0-48
0.368
MAR-TRE-67513f76-71
0.358
MAR-TRE-3e4e6814-41
0.354
MAR-TRE-f6f5f473-30
0.353
MAR-TRE-9c797165-76
0.351
MAR-TRE-9c797165-96
0.348
MAR-TRE-0fda4e82-89
0.347
MAR-TRE-1c920f6f-3
0.340
MAR-TRE-7f7bb9f0-61
0.340
MAR-TRE-6c5ef77a-96
0.340
MAR-TRE-7f7bb9f0-55
0.337
MAR-TRE-6c5ef77a-74
0.330
MAR-TRE-1c920f6f-74
0.330
MAR-TRE-0fda4e82-90
0.317
MAR-TRE-a3327163-18
0.314
MAR-TRE-6c5ef77a-46
0.313
MAR-TRE-67513f76-54
0.311
MAR-TRE-a3327163-46
0.310
MAR-TRE-3e4e6814-63
0.307
MAR-TRE-d0525fbf-83
0.306
AGN-NEW-cce853d0-1
0.304
MAR-TRE-9c797165-42
0.304
MAR-TRE-6c5ef77a-26
0.303
MAR-TRE-6c5ef77a-51
0.301
MAR-TRE-1c920f6f-49
0.301
MAR-TRE-4b834d9a-1
0.301
MAR-TRE-f5c2d31c-6
0.298
MAR-TRE-a3327163-92
0.298
MAR-TRE-6c5ef77a-47
0.298
MAR-TRE-a3327163-29
0.296
SID-ELM-8b394441-3
0.295
MAR-TRE-1c920f6f-42
0.292
AGN-NEW-cce853d0-3
0.291
MAR-TRE-1c920f6f-26
0.291
MAR-TRE-1c920f6f-95
0.291
BAR-COM-0f94fc3d-31
0.290
MAR-TRE-0fda4e82-29
0.288
MAR-TRE-6c5ef77a-20
0.287
MAR-TRE-6c5ef77a-67
0.287
MAR-TRE-1c920f6f-100
0.287
MAR-TRE-1c920f6f-47
0.286
MAR-TRE-1c920f6f-20
0.284
MAR-TRE-6c5ef77a-14
0.284
MAR-TRE-0fda4e82-76
0.284
MAR-TRE-6c5ef77a-66
0.283
MAR-TRE-a3327163-15
0.283
MAR-TRE-14ce9fd6-1
0.283
MAR-TRE-6c5ef77a-55
0.282
MAR-TRE-6c5ef77a-33
0.282
MAR-TRE-0fda4e82-59
0.280
AGN-NEW-c7b24fe3-4
0.278
MAR-TRE-a3327163-80
0.277
MAR-TRE-f5c2d31c-67
0.276
AGN-NEW-c7b24fe3-3
0.276
MAR-TRE-0fda4e82-67
0.275
MAR-TRE-a3327163-88
0.275
MAR-TRE-14ce9fd6-43
0.275
MAR-TRE-6c5ef77a-45
0.274
MAR-TRE-6c5ef77a-58
0.274
MAR-TRE-0fda4e82-72
0.274
MAR-TRE-1c920f6f-44
0.272
MAR-TRE-0fda4e82-47
0.272
MAR-TRE-14ce9fd6-27
0.272
MAR-TRE-0fda4e82-60
0.271
MAR-TRE-a3327163-11
0.271
MAR-TRE-6c5ef77a-64
0.269
MAR-TRE-6c5ef77a-29
0.269
MAR-TRE-0fda4e82-70
0.268
MAR-TRE-0fda4e82-20
0.267
MAR-TRE-a3327163-71
0.266
MAR-TRE-a3327163-34
0.264
MAR-TRE-1c920f6f-30
0.264
MAR-TRE-1c920f6f-46
0.264
MAR-TRE-14ce9fd6-37
0.264
MAR-TRE-1c920f6f-10
0.263
MAR-TRE-1c920f6f-7
0.262
MAR-TRE-14ce9fd6-7
0.261
MAR-TRE-6c5ef77a-17
0.261
MAR-TRE-0fda4e82-53
0.261
MAR-TRE-1c920f6f-19
0.261
MAR-TRE-0fda4e82-42
0.259
MAR-TRE-1c920f6f-58
0.259
MAR-TRE-3e4e6814-81
0.257
MAR-TRE-6c5ef77a-32
0.257
MAR-TRE-14ce9fd6-6
0.257
MAR-TRE-1c920f6f-5
0.256
MAR-TRE-14ce9fd6-2
0.255
MAR-TRE-6c5ef77a-22
0.255
MAR-TRE-0fda4e82-38
0.255
MAR-TRE-a3327163-17
0.252