Molecular Properties | |
SMILES: | O=C(COCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1cccnc1 |
MW: | 372.16 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 74.77 |
cLogP: | 1.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8620319797 |
MolPort: | MolPort-002-956-549 |
Long aliphatic chain
MAR-TRE-d0525fbf-84
0.671
MAT-POS-162a9720-4
0.452
MAK-UNK-a7b37c5e-5
0.423
MAK-UNK-de8f6d00-3
0.422
MAR-TRE-7f7bb9f0-56
0.393
SAD-SAT-135344c3-8
0.381
MAR-TRE-67513f76-81
0.375
KEI-TRE-d5e2018a-62
0.374
THO-SYG-f9b2970d-2
0.372
MAR-TRE-3e4e6814-66
0.368
LON-WEI-120e5cf5-11
0.368
MAR-TRE-d0525fbf-97
0.367
JOH-IMS-62aeb97d-5
0.365
MAK-UNK-ca11b4f7-1
0.365
SAD-SAT-24589cd1-4
0.362
MAR-TRE-67513f76-93
0.360
DAR-DIA-842b4336-11
0.357
ALE-HEI-f28a35b5-14
0.354
ALE-HEI-f28a35b5-16
0.354
JOH-IMS-62aeb97d-4
0.354
SAD-SAT-2fd372d1-7
0.353
MAR-TRE-67513f76-73
0.352
MAR-TRE-3e4e6814-67
0.352
MAR-TRE-3e4e6814-62
0.352
MAR-TRE-9c797165-94
0.352
WIL-UNI-1faa9b10-8
0.351
ISA-SCH-8e98219b-1
0.350
SAD-SAT-cefd50cc-7
0.350
MAK-UNK-de8f6d00-2
0.349
MAR-TRE-b77b7921-74
0.348
MAR-TRE-2fd8122f-10
0.347
MAR-TRE-4b834d9a-42
0.347
AAR-POS-d2a4d1df-13
0.345
FRA-FAC-9ed5a63a-1
0.345
ALE-HEI-f28a35b5-9
0.345
DAR-DIA-23aa0b97-16
0.345
MED-UNK-e6e8ef8a-5
0.341
DAR-DIA-842b4336-12
0.341
DAR-DIA-842b4336-16
0.337
MED-UNK-e6e8ef8a-2
0.337
FRA-FAC-9ed5a63a-2
0.337
CHR-SOS-59746812-2
0.337
MAR-TRE-7f7bb9f0-46
0.337
MAR-TRE-2fd8122f-45
0.337
MAR-TRE-04c86cea-51
0.337
KEI-TRE-d5e2018a-95
0.337
MAR-TRE-d0525fbf-92
0.337
MAR-TRE-2fd8122f-30
0.333
MAK-UNK-c749d764-27
0.333
MAR-TRE-7f7bb9f0-49
0.333
CHR-SOS-59746812-6
0.333
SAN-PRS-52b81272-2
0.333
KEI-TRE-d5e2018a-14
0.330
MAR-TRE-9c797165-52
0.330
WIL-UNI-5578df48-1
0.330
JOH-IMS-62aeb97d-3
0.329
KEI-TRE-d5e2018a-96
0.327
MAR-TRE-fd17a9b8-76
0.327
SAD-SAT-f25ee457-3
0.327
THO-SYG-f9b2970d-6
0.327
CHR-SOS-54d5cf3e-8
0.327
MAR-TRE-7f7bb9f0-8
0.327
MAR-TRE-b77b7921-71
0.326
CHR-SOS-70e4c98a-11
0.326
MAR-TRE-3e4e6814-49
0.326
MAR-TRE-d0525fbf-64
0.326
MAR-TRE-74c6519b-17
0.326
MAR-TRE-7f7bb9f0-68
0.326
MAR-TRE-74c6519b-91
0.326
NAU-LAT-64f4b287-10
0.326
MAR-TRE-67513f76-13
0.326
ANT-DIA-3c79be55-5
0.326
CHR-SOS-70e4c98a-6
0.326
MED-UNK-e6e8ef8a-6
0.326
ALE-HEI-f28a35b5-5
0.326
EDG-MED-0da5ad92-2
0.326
MAR-TRE-2fd8122f-27
0.325
MAK-UNK-a7b37c5e-4
0.325
MAR-TRE-2fd8122f-19
0.323
MAR-TRE-04c86cea-35
0.323
CHR-SOS-54d5cf3e-7
0.323
MAR-TRE-74c6519b-42
0.323
MAR-TRE-74c6519b-68
0.323
MAR-TRE-67513f76-92
0.323
MAR-TRE-b77b7921-91
0.323
MAR-TRE-04c86cea-81
0.323
KEI-TRE-d5e2018a-44
0.323
DAR-DIA-842b4336-15
0.322
MED-UNK-e6e8ef8a-3
0.322
MAK-UNK-a7b37c5e-2
0.322
AUS-ARG-7cfdce8f-11
0.321
MAR-TRE-04c86cea-95
0.320
MAR-TRE-7f7bb9f0-12
0.320
MAR-TRE-9c797165-14
0.320
CHR-SOS-59746812-3
0.320
MAR-TRE-3e4e6814-50
0.319
CHR-SOS-70e4c98a-8
0.319
CHR-SOS-f7373dd1-5
0.318
MAR-TRE-7f7bb9f0-74
0.318
DAR-DIA-842b4336-10
0.318