Molecular Properties | |
SMILES: | O=C(CNC(=O)N[C@@H]1CCS(=O)(=O)C1)Nc1cccnc1 |
MW: | 312.09 |
Fraction sp3: | 0.42 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 117.26 |
cLogP: | -0.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
MAR-TRE-9c797165-24
0.564
MAR-TRE-2fd8122f-44
0.506
MAR-TRE-2fd8122f-28
0.500
MAR-TRE-3e4e6814-49
0.494
MAR-TRE-3e4e6814-62
0.494
MAR-TRE-b77b7921-74
0.468
MAR-TRE-74c6519b-91
0.462
MAR-TRE-b77b7921-97
0.457
MAR-TRE-3e4e6814-67
0.456
MAR-TRE-7f7bb9f0-97
0.444
MAR-TRE-04c86cea-95
0.442
MAR-TRE-b77b7921-77
0.442
MAR-TRE-7f7bb9f0-49
0.440
MAR-TRE-b77b7921-71
0.439
MAR-TRE-74c6519b-17
0.439
MAR-TRE-04c86cea-81
0.438
MAR-TRE-67513f76-93
0.434
MAR-TRE-67513f76-81
0.422
FRA-FAC-9ed5a63a-1
0.419
ALE-HEI-f28a35b5-9
0.419
AAR-POS-d2a4d1df-13
0.419
MED-UNK-e6e8ef8a-6
0.413
MAR-TRE-7f7bb9f0-12
0.409
MAK-UNK-ca11b4f7-1
0.409
JOH-IMS-62aeb97d-5
0.409
MAR-TRE-2fd8122f-60
0.407
MAR-TRE-9c797165-38
0.407
ALE-HEI-f28a35b5-8
0.405
CHR-SOS-f7373dd1-4
0.405
MAR-TRE-9c797165-47
0.404
MAR-TRE-7f7bb9f0-8
0.402
MAR-TRE-67513f76-92
0.400
WIL-UNI-1faa9b10-8
0.400
CHR-SOS-f7373dd1-6
0.398
CHR-SOS-f7373dd1-1
0.395
MED-UNK-e6e8ef8a-5
0.395
FRA-FAC-9ed5a63a-3
0.395
ALE-HEI-f28a35b5-14
0.394
AUS-ARG-7cfdce8f-11
0.392
FRA-FAC-9ed5a63a-2
0.390
MED-UNK-e6e8ef8a-2
0.390
MED-UNK-e6e8ef8a-3
0.390
SAN-PRS-52b81272-2
0.389
CHR-SOS-f7373dd1-3
0.388
CHR-SOS-f7373dd1-5
0.385
MAR-TRE-74c6519b-68
0.384
NIM-UNI-02269248-2
0.381
MED-UNK-e6e8ef8a-4
0.380
SAD-SAT-689b7d5a-9
0.380
CHR-SOS-59746812-1
0.378
DAR-DIA-842b4336-11
0.377
CHR-SOS-f7373dd1-2
0.375
FRA-FAC-9ed5a63a-4
0.375
CHR-SOS-59746812-5
0.373
MAR-TRE-9c797165-48
0.372
MAR-TRE-3e4e6814-59
0.372
MAR-TRE-7f7bb9f0-46
0.370
CHR-SOS-59746812-2
0.370
MAK-UNK-c749d764-27
0.367
NIM-UNI-bb610069-1
0.366
NIM-UNI-594fbbb6-1
0.366
CHR-SOS-59746812-6
0.366
MAR-TRE-04c86cea-51
0.366
MAR-TRE-2fd8122f-20
0.366
SAD-SAT-24589cd1-4
0.365
CHR-SOS-59746812-3
0.364
MAR-TRE-04c86cea-76
0.363
MAK-UNK-c749d764-13
0.361
MAR-TRE-67513f76-87
0.361
MAR-TRE-74c6519b-58
0.360
WIL-UNI-5578df48-17
0.360
MAK-UNK-d1e89583-1
0.360
MAK-UNK-a7b37c5e-4
0.360
MAR-TRE-2fd8122f-27
0.360
CHR-SOS-59746812-4
0.360
DAR-DIA-842b4336-12
0.359
ALE-HEI-f28a35b5-5
0.359
CHR-SOS-54d5cf3e-1
0.359
CHR-SOS-70e4c98a-6
0.358
NAU-LAT-64f4b287-10
0.357
CHR-SOS-70e4c98a-3
0.357
MAR-TRE-b77b7921-80
0.356
MAR-TRE-2fd8122f-72
0.356
ALE-HEI-f28a35b5-15
0.356
MAK-UNK-009ebe36-3
0.356
SAD-SAT-cefd50cc-6
0.356
MAK-UNK-a7b37c5e-5
0.355
DAR-DIA-842b4336-16
0.354
MAR-TRE-74c6519b-54
0.353
AAR-POS-d2a4d1df-11
0.352
DAR-DIA-842b4336-10
0.351
CHR-SOS-70e4c98a-8
0.349
MAR-TRE-be9ff7d2-19
0.349
CHR-SOS-70e4c98a-1
0.349
MAR-TRE-74c6519b-81
0.348
MAR-TRE-2fd8122f-17
0.348
MAK-UNK-a7b37c5e-1
0.346
DAR-DIA-23aa0b97-16
0.346
MAK-UNK-c749d764-17
0.346
MAR-TRE-9c797165-80
0.346