Molecular Properties | |
SMILES: | CN1CCN([C@@H](CC(=O)Nc2cccnc2)C(=O)O)CC1 |
MW: | 292.15 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 85.77 |
cLogP: | 0.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOH-IMS-62aeb97d-5
0.492
ALE-HEI-f28a35b5-16
0.485
AUS-ARG-7cfdce8f-11
0.485
MAR-TRE-d0525fbf-91
0.458
MAR-TRE-67513f76-81
0.458
MAR-TRE-74c6519b-47
0.452
DAR-DIA-842b4336-11
0.443
MAK-UNK-ca11b4f7-1
0.443
MAR-TRE-9c797165-8
0.442
MAR-TRE-d0525fbf-97
0.440
TAM-UNI-c140e31a-10
0.436
MAR-TRE-67513f76-73
0.432
MAR-TRE-d0525fbf-64
0.430
MAR-TRE-2fd8122f-45
0.425
ALE-HEI-f28a35b5-14
0.424
MED-UNK-e6e8ef8a-6
0.423
SAN-PRS-52b81272-2
0.418
MAK-UNK-a7b37c5e-2
0.417
MAR-TRE-67513f76-13
0.416
MAR-TRE-2fd8122f-47
0.415
MAR-TRE-3e4e6814-6
0.415
MAK-UNK-009ebe36-2
0.410
THO-SYG-f9b2970d-1
0.405
EDG-MED-0da5ad92-2
0.403
JOR-UNI-2fc98d0b-5
0.402
SAD-SAT-135344c3-7
0.400
THO-SYG-f9b2970d-2
0.398
MAR-TRE-3e4e6814-65
0.398
MED-UNK-e6e8ef8a-3
0.397
SAD-SAT-135344c3-9
0.395
DAR-DIA-842b4336-10
0.394
MAR-TRE-3e4e6814-66
0.393
MAR-TRE-2fd8122f-37
0.392
MAR-TRE-9c797165-94
0.392
MAR-TRE-4b834d9a-31
0.392
MAR-TRE-7f7bb9f0-49
0.392
SAD-SAT-24589cd1-4
0.391
TAM-UNI-c140e31a-12
0.391
MAR-TRE-67513f76-92
0.390
MAR-TRE-9c797165-21
0.390
DAR-DIA-23aa0b97-16
0.389
FRA-FAC-9ed5a63a-1
0.389
ALE-HEI-f28a35b5-9
0.389
AAR-POS-d2a4d1df-13
0.389
MAK-UNK-a7b37c5e-1
0.389
MAK-UNK-c749d764-17
0.389
JOH-IMS-62aeb97d-2
0.389
MAR-TRE-67513f76-93
0.387
MED-UNK-e6e8ef8a-4
0.387
TAM-UNI-c140e31a-14
0.386
JOR-UNI-2fc98d0b-11
0.386
MAK-UNK-a7b37c5e-4
0.386
DAR-DIA-842b4336-2
0.386
MAR-TRE-9c797165-57
0.386
JOR-UNI-61e7b1d5-14
0.385
MAR-TRE-2fd8122f-100
0.385
CHR-SOS-f7373dd1-1
0.385
DAR-DIA-842b4336-12
0.384
MED-UNK-e6e8ef8a-5
0.384
ALE-HEI-f28a35b5-5
0.384
MAR-TRE-2fd8122f-90
0.383
CHR-SOS-f7373dd1-2
0.382
MAR-TRE-2fd8122f-78
0.382
CHR-SOS-70e4c98a-6
0.382
MAR-TRE-74c6519b-63
0.381
MAR-TRE-b77b7921-52
0.381
MAR-TRE-2fd8122f-39
0.381
MAK-UNK-ca11b4f7-3
0.381
MAK-UNK-a7b37c5e-5
0.380
CHR-SOS-59746812-5
0.380
NAU-LAT-64f4b287-10
0.380
DAR-DIA-842b4336-16
0.378
MED-UNK-e6e8ef8a-2
0.378
FRA-FAC-9ed5a63a-2
0.378
MAR-TRE-9c797165-60
0.378
CHR-SOS-f7373dd1-3
0.378
MAR-TRE-9c797165-95
0.378
CHR-SOS-f7373dd1-4
0.377
ANN-UNI-26382800-5
0.377
MAR-TRE-d0525fbf-33
0.375
THO-SYG-f9b2970d-6
0.374
MAR-TRE-74c6519b-42
0.373
MAK-UNK-c749d764-27
0.373
CHR-SOS-f7373dd1-5
0.373
MAR-TRE-3e4e6814-50
0.372
MAR-TRE-04c86cea-97
0.372
CHA-MCP-85291e1d-2
0.372
SAD-SAT-689b7d5a-4
0.372
CHR-SOS-59746812-6
0.372
CHR-SOS-70e4c98a-8
0.372
TAM-UNI-c140e31a-6
0.371
CHA-MCP-85291e1d-1
0.370
CHR-SOS-70e4c98a-1
0.370
CHR-SOS-f7373dd1-6
0.370
JOR-UNI-61e7b1d5-28
0.370
MAR-TRE-9c797165-14
0.369
MAR-TRE-2fd8122f-79
0.368
TAM-UNI-c140e31a-13
0.368
MAR-TRE-2fd8122f-62
0.368
CHA-MCP-85291e1d-5
0.367