Molecular Properties | |
SMILES: | CC[C@H](C(=O)Nc1cccnc1)[C@H](O)N(C)C |
MW: | 237.15 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 65.46 |
cLogP: | 0.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_acetal
het-C-het not in ring
JOH-IMS-62aeb97d-5
0.481
MAR-TRE-2fd8122f-79
0.477
KEI-TRE-d5e2018a-81
0.464
MAR-TRE-67513f76-81
0.444
KEI-TRE-d5e2018a-55
0.438
MAK-UNK-ca11b4f7-2
0.436
MAK-UNK-ca11b4f7-3
0.436
KEI-TRE-d5e2018a-24
0.432
MED-UNK-e6e8ef8a-7
0.431
MED-UNK-e6e8ef8a-1
0.431
MAK-UNK-ca11b4f7-1
0.429
KEI-TRE-d5e2018a-43
0.427
KEI-TRE-d5e2018a-69
0.425
MAR-TRE-7f7bb9f0-49
0.418
KEI-TRE-d5e2018a-16
0.416
MAK-UNK-c749d764-17
0.415
MAK-UNK-a7b37c5e-1
0.415
ADA-UNI-f8e79267-5
0.414
ALE-HEI-f28a35b5-15
0.410
AUS-ARG-7cfdce8f-11
0.406
ASH-UNK-40b46b30-13
0.405
MAK-UNK-a7b37c5e-2
0.403
PET-SGC-b0f8bd49-1
0.403
ADA-UNI-f8e79267-4
0.403
ASH-UNK-40b46b30-3
0.403
PET-SGC-d0156db4-1
0.403
BEN-DND-362d364a-12
0.403
MAR-TRE-67513f76-32
0.403
DRE-WAB-ae4a693c-1
0.403
KEI-TRE-d5e2018a-99
0.403
KEI-TRE-d5e2018a-17
0.403
MAR-TRE-67513f76-73
0.400
MAK-UNK-c749d764-7
0.400
WIL-UNI-5578df48-3
0.400
MAR-TRE-3e4e6814-93
0.400
KEI-TRE-d5e2018a-42
0.397
MAR-TRE-2fd8122f-69
0.394
MAR-TRE-7f7bb9f0-16
0.392
KEI-TRE-d5e2018a-27
0.392
MAR-TRE-67513f76-93
0.391
MAR-TRE-2fd8122f-27
0.391
MAK-UNK-b1917cc8-5
0.389
MAR-TRE-9c797165-52
0.389
MAR-TRE-4b834d9a-27
0.388
KEI-TRE-d5e2018a-23
0.388
WIL-UNI-5578df48-2
0.387
ALE-HEI-f28a35b5-14
0.387
MAR-TRE-2fd8122f-90
0.387
ADA-UNI-f8e79267-2
0.387
KEI-TRE-d5e2018a-25
0.387
KEI-TRE-d5e2018a-29
0.387
KEI-TRE-d5e2018a-40
0.387
ZAC-WAB-3baddbb3-1
0.385
ZAC-WAB-d55a3c2e-2
0.385
ALE-HEI-f28a35b5-16
0.385
MAR-TRE-2fd8122f-97
0.384
SAD-SAT-689b7d5a-10
0.384
AAR-POS-d2a4d1df-11
0.383
DAR-DIA-842b4336-16
0.382
ADA-UNI-f8e79267-1
0.382
BAR-COM-5694a99d-4
0.382
SAN-PRS-52b81272-2
0.381
MAR-TRE-9c797165-24
0.380
MAK-UNK-c749d764-27
0.377
ADA-UNI-f8e79267-11
0.377
KEI-TRE-d5e2018a-19
0.377
SAD-SAT-24589cd1-4
0.375
MAK-UNK-d1e89583-8
0.375
MAK-UNK-c749d764-9
0.372
MAK-UNK-c749d764-14
0.370
EMI-TUK-a58865cc-5
0.370
DAR-DIA-842b4336-2
0.369
MAK-UNK-d1e89583-1
0.369
MAK-UNK-a7b37c5e-4
0.369
MAR-TRE-2fd8122f-1
0.369
DAR-DIA-842b4336-11
0.368
DAR-DIA-842b4336-12
0.368
MED-UNK-e6e8ef8a-6
0.368
MED-UNK-e6e8ef8a-5
0.368
ALE-HEI-f28a35b5-5
0.368
KEI-TRE-d5e2018a-34
0.367
ADA-UNI-f8e79267-10
0.367
KEI-TRE-d5e2018a-80
0.367
KEI-TRE-d5e2018a-47
0.367
KEI-TRE-d5e2018a-76
0.367
PET-SGC-1fc12be1-1
0.366
MAR-TRE-74c6519b-79
0.366
WAR-XCH-eb7b662f-6
0.364
MAK-UNK-a7b37c5e-5
0.364
DAR-DIA-842b4336-3
0.364
FRA-FAC-9ed5a63a-2
0.362
MED-UNK-e6e8ef8a-2
0.362
MED-UNK-e6e8ef8a-3
0.362
MAR-TRE-2fd8122f-4
0.361
KEI-TRE-d5e2018a-56
0.361
MAK-UNK-c749d764-23
0.360
MAR-TRE-4b834d9a-31
0.360
EMI-TUK-a58865cc-7
0.360
MAR-TRE-9c797165-94
0.360
DAR-DIA-842b4336-1
0.359