Molecular Properties | |
SMILES: | CCN(Cc1ccc(OC)c(F)c1)C(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O |
MW: | 411.2 |
Fraction sp3: | 0.3 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 74.43 |
cLogP: | 3.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z73350780 |
Enamine REAL: | Z73350780 |
Mcule: | MCULE-4219381033 |
MolPort: | MolPort-004-162-587 |
Long aliphatic chain
NIC-BIO-3276ca7f-7
0.448
NIC-BIO-3276ca7f-2
0.443
MAR-TRE-74c6519b-79
0.408
MAR-TRE-4f781e27-69
0.392
SAL-INS-68b48d12-10
0.386
YIA-UNI-71f25a82-2
0.383
MAR-TRE-f5c2d31c-47
0.381
SAL-INS-68b48d12-8
0.364
MAR-TRE-4f781e27-6
0.362
MAR-TRE-36bf7dba-21
0.357
CUN-WAB-25b584ee-1
0.356
SAL-INS-68b48d12-6
0.350
MAR-TRE-4f39ef4a-9
0.349
MAR-UCB-195bc32d-18
0.348
SAN-PRS-3c4a6997-2
0.348
YIA-UNI-71f25a82-1
0.348
MAR-TRE-36bf7dba-26
0.345
MAR-UCB-195bc32d-9
0.340
WIL-UNI-1faa9b10-29
0.333
MAR-TRE-85681e92-33
0.330
MAR-TRE-36bf7dba-27
0.325
SUN-WAB-e274cdaf-1
0.325
MAR-TRE-4f39ef4a-5
0.321
SAL-INS-68b48d12-9
0.311
ANT-OPE-ab37bd51-2
0.311
NIC-BIO-b40446ce-2
0.307
ALP-POS-a3de0cb1-15
0.306
SAL-INS-68b48d12-7
0.304
NIC-BIO-3276ca7f-3
0.304
CUN-WAB-25b584ee-2
0.299
SAL-INS-68b48d12-5
0.297
JOH-MSK-a63bdd1d-10
0.297
BRU-UNI-248b30bc-8
0.294
ALP-POS-8ed8d9ec-2
0.293
NIC-BIO-3276ca7f-5
0.292
NIC-BIO-b40446ce-1
0.289
MAR-UCB-195bc32d-22
0.289
NIC-BIO-3276ca7f-4
0.288
MAR-TRE-85681e92-69
0.283
MAR-TRE-85681e92-20
0.279
NIC-BIO-3276ca7f-1
0.277
MAR-TRE-85681e92-68
0.275
AAR-UNI-c25c2f1e-73
0.274
NIC-BIO-3276ca7f-6
0.274
MAR-TRE-799db12b-12
0.272
FEL-WAB-fb168420-3
0.271
MAR-TRE-b77b7921-67
0.270
MAR-TRE-85681e92-53
0.270
MAR-TRE-8190bb11-18
0.270
MAR-TRE-c317dd82-38
0.270
GAB-REV-4a4e2ff3-8
0.270
AAR-UNI-c25c2f1e-29
0.268
RED-RED-10c9212c-33
0.265
MAR-UCB-f313ec4d-1
0.263
MAK-UNK-10572812-2
0.263
RED-RED-10c9212c-42
0.263
AAR-UNI-c25c2f1e-26
0.262
ALE-ACE-2610ee4d-1
0.262
JOH-MSK-35a8745a-1
0.262
MAR-UCB-195bc32d-21
0.262
MAR-TRE-85681e92-60
0.261
MAR-TRE-85681e92-64
0.261
MAR-TRE-fd17a9b8-35
0.259
MAR-TRE-fd17a9b8-10
0.259
NIM-UNI-310206f0-31
0.258
GAB-REV-df64cf17-18
0.257
MAR-TRE-a9136c7b-22
0.256
MAR-TRE-fd17a9b8-18
0.256
AAR-UNI-c25c2f1e-34
0.256
LON-WEI-1908424e-9
0.254
DAR-DIA-8e329c92-6
0.254
ADA-UCB-6c2cb422-8
0.254
SAD-SAT-5b1897b2-5
0.252
JIN-POS-6dc588a4-5
0.252
DAR-DIA-8e329c92-4
0.252
WAL-WAB-c1441da0-2
0.252
MAR-TRE-4f781e27-26
0.250
MAT-POS-3b92565d-4
0.250
MAR-TRE-85681e92-38
0.250
MAT-POS-e1b5ac6b-2
0.250
MAT-POS-590ac91e-41
0.250
NIM-UNI-310206f0-49
0.248
JOH-MSK-a63bdd1d-1
0.248
IAN-BAS-8ad3d156-1
0.246
ALP-POS-a3de0cb1-14
0.246
JOH-MEM-5e386bbd-8
0.245
ANT-OPE-ab37bd51-1
0.245
MAT-POS-162a9720-8
0.245
WIL-UNI-de614146-1
0.245
DAR-DIA-8e329c92-5
0.244
SCO-VAN-260d9628-5
0.243
AAR-POS-d2a4d1df-2
0.243
ALP-POS-8ed8d9ec-6
0.242
LON-WEI-4d77710c-20
0.242
LON-WEI-5e7d1b3e-20
0.242
BEN-DND-7e92b6ca-2
0.241
MAR-TRE-85681e92-45
0.241
MAR-TRE-e86a56b5-41
0.241
KOV-VNK-5e1a909f-12
0.240
MAR-TRE-e86a56b5-34
0.240