Molecular Properties | |
SMILES: | CSCC[C@H](NC(=O)Nc1cccnc1)C(=O)N(C)C |
MW: | 296.13 |
Fraction sp3: | 0.46 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 74.33 |
cLogP: | 1.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2147706956 |
Long aliphatic chain
ALE-HEI-f28a35b5-9
JOH-IMS-62aeb97d-5
0.435
SAD-SAT-689b7d5a-6
0.418
DAR-DIA-23aa0b97-15
0.400
ALE-HEI-f28a35b5-15
0.397
AAR-POS-d2a4d1df-11
0.394
MAK-UNK-d1e89583-4
0.389
SAD-SAT-689b7d5a-4
0.385
JOH-IMS-62aeb97d-2
0.384
MAR-TRE-67513f76-81
0.381
MAK-UNK-d1e89583-1
0.380
DAR-DIA-842b4336-2
0.380
WIL-UNI-5578df48-2
0.377
MAK-UNK-ca11b4f7-3
0.375
JAN-GHE-83b26c96-19
0.375
WAR-XCH-eb7b662f-6
0.375
DAR-DIA-23aa0b97-14
0.375
WAR-XCH-eb7b662f-7
0.375
JOR-UNI-2fc98d0b-7
0.375
DAR-DIA-842b4336-3
0.375
MAK-UNK-ca11b4f7-2
0.375
DOU-UNK-b5326f8f-19
0.375
MAK-UNK-d1e89583-9
0.372
DAR-DIA-842b4336-1
0.371
MAK-UNK-ca11b4f7-1
0.369
SAD-SAT-689b7d5a-2
0.367
WAR-XCH-eb7b662f-3
0.366
MAK-UNK-51bb34f9-2
0.366
ALE-HEI-f28a35b5-4
0.365
MAK-UNK-d1e89583-2
0.365
MAR-TRE-2fd8122f-79
0.364
CHA-KIN-45d1307a-1
0.364
DAR-DIA-842b4336-5
0.360
CHR-SOS-363cfb78-1
0.360
WIL-UNI-5578df48-21
0.360
DAR-DIA-842b4336-7
0.360
BAR-COM-5694a99d-4
0.357
DAR-DIA-842b4336-4
0.356
ANN-UNI-26382800-3
0.356
JOH-UNK-14e6adc5-2
0.356
WAR-XCH-eb7b662f-5
0.355
BAR-COM-21d20d65-8
0.353
WIL-UNI-5578df48-24
0.353
BAR-COM-21d20d65-9
0.353
ADA-UNI-f8e79267-3
0.353
MAK-UNK-d1e89583-7
0.351
ALE-HEI-f28a35b5-8
0.351
DAR-DIA-842b4336-9
0.351
MAK-UNK-d1e89583-8
0.350
BAR-COM-5694a99d-1
0.349
SAD-SAT-24589cd1-4
0.347
SAD-SAT-689b7d5a-9
0.346
MAK-UNK-d1e89583-6
0.346
MAK-UNK-d1e89583-5
0.346
ADA-UNI-f8e79267-6
0.346
DAR-DIA-842b4336-8
0.342
WAR-XCH-eb7b662f-4
0.342
DAR-DIA-842b4336-11
0.342
DAR-DIA-842b4336-12
0.342
FRA-FAC-9ed5a63a-3
0.342
MAK-UNK-d1e89583-3
0.342
SAD-SAT-689b7d5a-3
0.342
WIL-UNI-5578df48-22
0.342
IAN-BAS-df1706d7-1
0.341
JOR-UNI-61e7b1d5-1
0.341
ALE-HEI-f28a35b5-14
0.338
AUS-ARG-7cfdce8f-11
0.338
JOR-UNI-61e7b1d5-2
0.338
ANN-UNI-26382800-4
0.338
DAR-DIA-23aa0b97-5
0.338
WAR-XCH-eb7b662f-1
0.338
MAR-TRE-67513f76-73
0.338
WIL-UNI-5578df48-15
0.338
WIL-UNI-5578df48-28
0.337
SAD-SAT-135344c3-6
0.337
MAR-TRE-3e4e6814-28
0.337
DAR-DIA-842b4336-10
0.333
ADA-UNI-f8e79267-5
0.333
MAR-TRE-7f7bb9f0-49
0.333
MAR-TRE-7f7bb9f0-74
0.333
MAR-TRE-7f7bb9f0-90
0.333
SAN-PRS-52b81272-2
0.333
JIA-UNI-12b1f9ae-1
0.333
WIL-UNI-5578df48-30
0.330
SAD-SAT-135344c3-9
0.330
ADA-UNI-f8e79267-9
0.330
WIL-UNI-5578df48-16
0.330
BAR-COM-21d20d65-6
0.330
KEI-TRE-d5e2018a-45
0.329
SAD-SAT-689b7d5a-5
0.329
WIL-UNI-5578df48-19
0.329
WIL-UNI-5578df48-14
0.329
MAR-TRE-9c797165-52
0.329
MED-UNK-e6e8ef8a-4
0.329
WIL-UNI-5578df48-1
0.329
DAR-DIA-842b4336-6
0.329
MAR-TRE-67513f76-93
0.329
MAR-TRE-7f7bb9f0-56
0.329
SAD-SAT-cefd50cc-1
0.329
MAK-UNK-c749d764-17
0.329
DAR-DIA-23aa0b97-16
0.329