Molecular Properties | |
SMILES: | CCc1ccccc1NC(=O)COc1ccccc1C(=O)Nc1cccnc1 |
MW: | 375.16 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 80.32 |
cLogP: | 3.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3783958706 |
MolPort: | MolPort-002-233-460 |
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-44
0.667
MAR-TRE-2fd8122f-21
0.440
MAR-TRE-f6f5f473-87
0.430
BAR-COM-5694a99d-2
0.387
JIA-UNI-12b1f9ae-1
0.386
SAD-SAT-689b7d5a-5
0.380
MAK-UNK-a7b37c5e-2
0.376
BAR-COM-5694a99d-4
0.376
BAR-COM-5694a99d-3
0.372
BAR-COM-5694a99d-1
0.368
BAR-COM-5694a99d-5
0.368
MAR-TRE-2fd8122f-25
0.364
MAK-UNK-a7b37c5e-5
0.361
STE-LAU-aafa5dff-1
0.358
JOH-IMS-62aeb97d-5
0.355
MAK-UNK-c749d764-17
0.353
CHR-SOS-7098f804-14
0.352
MAK-UNK-129dcd6f-4
0.351
AAR-UNI-c25c2f1e-77
0.347
DAR-DIA-23aa0b97-17
0.344
MAK-UNK-30aad1f1-1
0.343
SAD-SAT-689b7d5a-1
0.343
SAN-PRS-52b81272-2
0.341
MAK-UNK-c749d764-27
0.341
MAR-TRE-2fd8122f-65
0.340
DAR-DIA-23aa0b97-16
0.337
MAK-UNK-a7b37c5e-1
0.337
KEI-TRE-d5e2018a-14
0.337
KEI-TRE-d5e2018a-82
0.337
MAR-TRE-2fd8122f-73
0.337
CHR-SOS-7098f804-16
0.333
MAR-TRE-6a44bbf2-97
0.333
DAR-DIA-842b4336-11
0.333
MAR-TRE-2fd8122f-82
0.330
CHR-SOS-7098f804-13
0.330
CHR-SOS-7098f804-11
0.330
AUS-ARG-7cfdce8f-11
0.329
MAR-TRE-67513f76-81
0.329
KEI-TRE-d5e2018a-53
0.327
MAR-TRE-2fd8122f-84
0.324
MAR-TRE-04c86cea-90
0.323
MAK-UNK-c749d764-14
0.323
JOH-IMS-62aeb97d-2
0.322
SAD-SAT-24589cd1-4
0.321
MAR-TRE-2fd8122f-55
0.321
MAK-UNK-ca11b4f7-1
0.321
KEI-TRE-d5e2018a-56
0.320
KEI-TRE-d5e2018a-86
0.320
MAR-TRE-67513f76-13
0.319
MAR-TRE-2fd8122f-58
0.319
ALE-HEI-f28a35b5-5
0.318
MAK-UNK-a7b37c5e-4
0.318
MAR-TRE-2fd8122f-53
0.317
MAR-TRE-9c797165-94
0.316
KAL-WAB-eb347ebe-1
0.315
DAR-DIA-842b4336-16
0.315
ALE-HEI-f28a35b5-14
0.313
KEI-TRE-d5e2018a-68
0.313
MAR-TRE-6a44bbf2-27
0.312
ADA-UNI-f8e79267-5
0.312
KEI-TRE-d5e2018a-13
0.311
KEI-TRE-d5e2018a-70
0.311
MAK-UNK-37f1d6fa-1
0.310
DAR-DIA-842b4336-10
0.310
BEN-VAN-ed886787-14
0.310
MAR-TRE-74c6519b-58
0.309
MAR-TRE-2fd8122f-40
0.309
AAR-POS-d2a4d1df-11
0.309
MAR-TRE-7f7bb9f0-56
0.308
MAR-TRE-67513f76-93
0.308
MED-UNK-e6e8ef8a-4
0.308
MAK-UNK-ca11b4f7-3
0.308
MAD-FNM-74857450-1
0.308
MAR-TRE-2fd8122f-5
0.308
MAR-TRE-2fd8122f-79
0.308
KEI-TRE-d5e2018a-90
0.307
ADA-UNI-f8e79267-1
0.306
KEI-TRE-d5e2018a-74
0.306
JOR-UNI-61e7b1d5-1
0.306
MAK-UNK-129dcd6f-5
0.306
ADA-UNI-f8e79267-4
0.305
CHR-SOS-70e4c98a-6
0.304
ANT-DIA-3c79be55-4
0.304
KEI-TRE-d5e2018a-20
0.304
EDG-MED-0da5ad92-2
0.303
DAR-DIA-842b4336-12
0.303
DAR-DIA-842b4336-13
0.303
CHR-SOS-7098f804-15
0.303
MAR-TRE-2fd8122f-37
0.302
MAR-TRE-2fd8122f-26
0.302
WIL-UNI-5578df48-15
0.301
TAM-UNI-c140e31a-19
0.301
DAR-DIA-842b4336-15
0.301
MAR-TRE-2fd8122f-52
0.301
FRA-FAC-9ed5a63a-2
0.300
MED-UNK-e6e8ef8a-3
0.300
MAK-UNK-30aad1f1-14
0.300
MED-UNK-e6e8ef8a-2
0.300
MAR-TRE-9c797165-95
0.299
MAR-TRE-2fd8122f-95
0.299