Molecular Properties | |
SMILES: | O=C(CN1CCC(C(=O)Nc2ccc(Cl)nc2)CC1)Nc1ccc(F)cc1 |
MW: | 390.13 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 74.33 |
cLogP: | 3.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4136020490 |
MolPort: | MolPort-009-690-737 |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-chloropyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
MAR-TRE-6a44bbf2-47
0.455
AAR-POS-5507155c-2
0.384
LON-WEI-120e5cf5-1
0.384
AAR-POS-f650c5f2-4
0.384
LON-WEI-120e5cf5-17
0.384
LON-WEI-120e5cf5-20
0.358
JAG-SYN-9c2cd0bd-9
0.350
MAR-TRE-67513f76-75
0.350
MAR-TRE-4b834d9a-56
0.346
MAR-TRE-9c797165-3
0.341
LON-WEI-120e5cf5-11
0.337
BEN-DND-031a96cc-4
0.337
MAR-TRE-67513f76-82
0.333
JAG-SYN-9c2cd0bd-14
0.333
WIL-LEE-23e8b574-6
0.333
MAR-TRE-6a44bbf2-86
0.329
LON-WEI-120e5cf5-15
0.329
MAR-TRE-d0525fbf-53
0.326
MAR-TRE-6a44bbf2-12
0.325
ISA-SCH-8e98219b-2
0.325
BEN-DND-031a96cc-5
0.322
LON-WEI-120e5cf5-10
0.318
LON-WEI-120e5cf5-4
0.315
MAR-TRE-04c86cea-34
0.313
MAR-TRE-6a44bbf2-85
0.312
MAR-TRE-04c86cea-48
0.310
MAR-TRE-04c86cea-84
0.310
MAR-TRE-04c86cea-35
0.309
MAR-TRE-f6f5f473-81
0.307
MAR-TRE-7f7bb9f0-86
0.307
MAR-TRE-3e4e6814-54
0.306
JAG-SYN-9c2cd0bd-8
0.306
JAG-SYN-9c2cd0bd-7
0.306
MAK-UNK-c97f7c8f-2
0.303
MAR-TRE-4b834d9a-48
0.303
MAR-TRE-e86a56b5-38
0.302
MAR-TRE-f6f5f473-37
0.301
MAR-TRE-d0525fbf-90
0.300
MAR-TRE-a3327163-54
0.300
JUL-TUD-06b2044f-105
0.300
MAR-TRE-7f7bb9f0-56
0.299
MAR-TRE-4b834d9a-72
0.298
MAR-TRE-7f7bb9f0-77
0.298
MAR-TRE-9c797165-44
0.298
JAG-SYN-9c2cd0bd-3
0.298
MAR-TRE-3e4e6814-16
0.297
MAR-TRE-74c6519b-29
0.296
MAR-TRE-f6f5f473-87
0.296
MAK-UNK-c97f7c8f-1
0.295
EDJ-MED-3c65e9ce-4
0.295
MAR-TRE-b77b7921-75
0.295
MAR-TRE-3e4e6814-22
0.294
MAR-TRE-d0525fbf-31
0.294
MAR-TRE-04c86cea-85
0.292
MAR-TRE-7f7bb9f0-93
0.291
MAR-TRE-04c86cea-19
0.290
MAR-TRE-d0525fbf-63
0.290
BEN-DND-031a96cc-2
0.289
KUS-THE-322b9b63-25
0.288
MAR-TRE-9c797165-77
0.287
MAR-TRE-6a44bbf2-3
0.286
JAG-SYN-9c2cd0bd-4
0.286
MAR-TRE-d0525fbf-64
0.284
MAR-TRE-6a44bbf2-90
0.284
MAR-TRE-d0525fbf-76
0.283
MAR-TRE-fd17a9b8-98
0.283
MAR-TRE-4b834d9a-100
0.283
LON-WEI-120e5cf5-19
0.283
MAR-TRE-67513f76-3
0.280
MAR-TRE-6c5ef77a-66
0.280
DRA-CSI-0a78d9ba-11
0.279
MAR-TRE-7f7bb9f0-21
0.278
MAR-TRE-67513f76-73
0.278
BEN-DND-031a96cc-1
0.277
BEN-DND-6de5dfa0-15
0.277
MAR-TRE-67513f76-23
0.275
KEI-TRE-d5e2018a-73
0.275
MAK-UNK-a7b37c5e-5
0.274
MAR-TRE-3e4e6814-31
0.273
MAR-TRE-3e4e6814-66
0.273
MAR-TRE-f5c2d31c-38
0.272
DRA-CSI-7ec17797-7
0.271
DRA-CSI-0a78d9ba-13
0.271
DRA-CSI-7ec17797-10
0.271
DRA-CSI-7ec17797-18
0.271
MAR-TRE-f6f5f473-39
0.271
MAR-TRE-2fd8122f-19
0.270
BEN-DND-6de5dfa0-18
0.270
MAR-TRE-7f7bb9f0-13
0.269
DRA-CSI-7ec17797-4
0.269
ISA-SCH-8e98219b-1
0.268
MAR-TRE-7f7bb9f0-67
0.268
LON-WEI-120e5cf5-2
0.267
BEN-DND-6de5dfa0-14
0.266
BEN-DND-031a96cc-3
0.265
DRA-CSI-0a78d9ba-4
0.265
MAR-TRE-9c797165-84
0.264
DRA-CSI-0a78d9ba-1
0.263
MAR-TRE-3e4e6814-96
0.263
DRA-CSI-0a78d9ba-6
0.263