Molecular Properties | |
SMILES: | CN(CC(=O)Nc1ccc(F)cc1)C(=O)CCl |
MW: | 258.06 |
Fraction sp3: | 0.27 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 49.41 |
cLogP: | 1.46 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7248926904 |
MolPort: | MolPort-002-466-323 |
MAR-TRE-6a44bbf2-76
0.508
MAR-TRE-6a44bbf2-98
0.459
MAT-POS-fa06b69f-8
0.450
TAT-ENA-80bfd3e5-42
0.450
MAR-TRE-6a44bbf2-90
0.407
MAR-TRE-6a44bbf2-47
0.400
MAR-TRE-a3327163-54
0.383
ISA-SCH-8e98219b-2
0.348
MAK-UNK-e0fdfe28-1
0.339
MAR-TRE-7f7bb9f0-56
0.333
JOH-UNI-c7afdb96-14
0.318
MAR-TRE-e86a56b5-38
0.316
CAS-DEP-751a2458-6
0.313
MAR-TRE-7f7bb9f0-26
0.312
MAR-TRE-6a44bbf2-81
0.308
MAR-TRE-6c5ef77a-66
0.307
GAB-FAC-880f6604-1
0.305
JOH-UNI-c7afdb96-2
0.304
MAR-TRE-a3327163-68
0.300
MAR-TRE-6c5ef77a-92
0.300
MAR-TRE-3159af1a-18
0.298
MAR-TRE-6a44bbf2-16
0.297
SAD-SAT-6b5a89f0-8
0.296
SAD-SAT-d8079f6f-8
0.286
MAR-TRE-6c5ef77a-32
0.286
MAK-UNK-a7b37c5e-5
0.284
MAR-TRE-7f7bb9f0-77
0.281
MAR-TRE-4b834d9a-72
0.281
MAR-TRE-e82e6c98-50
0.280
MAR-TRE-f5c2d31c-38
0.279
MAR-TRE-6a44bbf2-74
0.277
ISA-SCH-8e98219b-1
0.277
MAR-TRE-d0525fbf-31
0.277
MAR-TRE-6a44bbf2-94
0.275
AAR-POS-0daf6b7e-8
0.275
YOI-UNK-4c10088f-1
0.274
SAD-SAT-f0a2747f-7
0.274
MAR-TRE-7f7bb9f0-93
0.273
MAR-TRE-67513f76-85
0.273
MAR-TRE-6a44bbf2-12
0.271
WIL-UNI-1faa9b10-56
0.269
JAG-UCB-1d922829-4
0.269
MAR-TRE-4f781e27-85
0.268
MAR-TRE-6a44bbf2-88
0.267
RAL-MED-9a5eb9cb-13
0.266
MAR-TRE-6c5ef77a-74
0.266
MAR-TRE-6c5ef77a-86
0.265
MAR-TRE-6a44bbf2-89
0.265
TAT-ENA-80bfd3e5-23
0.265
DAN-MCD-c163c0bb-1
0.264
MAR-TRE-d0525fbf-76
0.264
VIK-SYN-bf9c9ac8-5
0.263
SAD-SAT-6b5a89f0-10
0.263
MAR-TRE-799db12b-24
0.263
MAK-UNK-72659d64-3
0.262
MAR-TRE-a3327163-48
0.262
MAR-TRE-6a44bbf2-95
0.260
AAR-UNI-c25c2f1e-79
0.260
GIA-UNK-d2defdc3-9
0.260
GIA-UNK-3f36037a-4
0.258
SAD-SAT-d8079f6f-7
0.254
MAK-UNK-f983951f-26
0.254
CAS-DEP-751a2458-4
0.254
MAR-TRE-6a44bbf2-71
0.253
MAR-TRE-67513f76-23
0.253
MAR-TRE-9c797165-70
0.250
ROB-UNI-83ecb295-1
0.250
MAR-TRE-6a44bbf2-17
0.250
MAR-TRE-6a44bbf2-93
0.250
MAR-TRE-8190bb11-69
0.250
MAR-TRE-d0525fbf-92
0.250
JAG-UCB-1d922829-6
0.250
KEI-TRE-d5e2018a-95
0.250
JAG-UCB-1d922829-5
0.247
AAR-UNI-c25c2f1e-97
0.247
EDG-MED-0da5ad92-13
0.247
MAK-UNK-72659d64-15
0.247
MAR-TRE-6a44bbf2-58
0.246
KAY-MCD-d0fe5261-1
0.246
DRR-IMP-dff87f5e-1
0.246
MAT-POS-162a9720-4
0.246
VIK-SYN-9a3d118a-7
0.246
MAK-UNK-ca11b4f7-1
0.246
KUS-THE-322b9b63-25
0.245
MAR-LAB-ff9967db-8
0.244
SAN-PRS-3c4a6997-3
0.243
MAR-TRE-c317dd82-63
0.243
FAR-UNI-736b943a-3
0.243
MAK-UNK-72659d64-8
0.243
DRR-IMP-db50bf6e-1
0.242
MAK-UNK-72659d64-16
0.242
MAK-UNK-72659d64-6
0.242
MAR-TRE-6c5ef77a-62
0.242
MEV-UNK-0bf23af6-1
0.242
WIL-UNI-1faa9b10-19
0.241
ASH-SAT-43770c7d-8
0.241
MAR-TRE-7f7bb9f0-20
0.240
BEN-DND-93268d01-5
0.240
MAR-LAB-ff9967db-21
0.239
MAR-TRE-14ce9fd6-59
0.239