Molecular Properties | |
SMILES: | C[C@H](O)CN1CCN(CC(=O)Nc2cccnc2)CC1 |
MW: | 278.17 |
Fraction sp3: | 0.57 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 68.7 |
cLogP: | 0.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-d0525fbf-64
0.632
JOH-IMS-62aeb97d-5
0.509
MAR-TRE-67513f76-81
0.474
MAR-TRE-2fd8122f-30
0.463
MAK-UNK-ca11b4f7-1
0.458
KEI-TRE-d5e2018a-45
0.447
NAU-LAT-64f4b287-10
0.446
MAR-TRE-7f7bb9f0-76
0.446
TAM-UNI-c140e31a-13
0.444
MAR-TRE-9c797165-60
0.442
MAR-TRE-4b834d9a-31
0.440
ALE-HEI-f28a35b5-14
0.438
DAR-DIA-842b4336-11
0.435
TAM-UNI-c140e31a-7
0.434
MAR-TRE-9c797165-52
0.432
SAN-PRS-52b81272-2
0.431
MAR-TRE-2fd8122f-78
0.431
BEN-DND-362d364a-11
0.427
SAD-SAT-24589cd1-4
0.424
MAR-TRE-7f7bb9f0-49
0.423
MAR-TRE-b77b7921-91
0.421
TAM-UNI-c140e31a-1
0.419
MAK-UNK-a7b37c5e-4
0.418
MAR-TRE-9c797165-21
0.418
MAR-TRE-c317dd82-59
0.418
ALE-HEI-f28a35b5-5
0.414
DAR-DIA-842b4336-13
0.414
DAR-DIA-842b4336-12
0.414
MED-UNK-e6e8ef8a-6
0.414
MAK-UNK-a7b37c5e-5
0.412
AUS-ARG-7cfdce8f-11
0.412
KEI-TRE-d5e2018a-67
0.410
DAR-DIA-842b4336-16
0.408
MED-UNK-e6e8ef8a-3
0.408
MAR-TRE-2fd8122f-91
0.407
MAR-TRE-4b834d9a-45
0.407
KEI-TRE-d5e2018a-37
0.407
THO-SYG-f9b2970d-2
0.407
MAR-TRE-2fd8122f-49
0.407
MAR-TRE-f6f5f473-46
0.407
MAR-TRE-b77b7921-52
0.407
MAR-TRE-3e4e6814-65
0.407
KEI-TRE-d5e2018a-74
0.405
MAR-TRE-2fd8122f-68
0.405
MAR-TRE-9c797165-94
0.403
JOH-IMS-62aeb97d-2
0.400
MAK-UNK-a7b37c5e-1
0.400
AAR-POS-d2a4d1df-13
0.400
FRA-FAC-9ed5a63a-1
0.400
ALE-HEI-f28a35b5-9
0.400
CHR-SOS-70e4c98a-8
0.400
MAK-UNK-c749d764-17
0.400
MAR-TRE-67513f76-55
0.400
MAR-TRE-2fd8122f-54
0.400
DAR-DIA-23aa0b97-16
0.400
MAR-TRE-d0525fbf-45
0.398
THO-SYG-f9b2970d-1
0.398
MED-UNK-e6e8ef8a-4
0.397
MAR-TRE-67513f76-93
0.397
BEN-DND-362d364a-10
0.395
MAR-TRE-4b834d9a-96
0.395
MED-UNK-e6e8ef8a-5
0.394
MED-UNK-e6e8ef8a-1
0.394
MAK-UNK-ca11b4f7-3
0.393
MAR-TRE-4b834d9a-63
0.393
CHR-SOS-70e4c98a-6
0.392
ALE-HEI-f28a35b5-16
0.391
DUN-NEW-f8ce3686-8
0.391
MAR-TRE-2fd8122f-43
0.390
CHR-SOS-70e4c98a-3
0.390
MAR-TRE-67513f76-13
0.390
MAK-UNK-a7b37c5e-2
0.389
FRA-FAC-9ed5a63a-2
0.389
MED-UNK-e6e8ef8a-2
0.389
DAR-DIA-842b4336-10
0.386
MAR-TRE-3e4e6814-66
0.386
MAK-UNK-c749d764-23
0.385
MAR-TRE-2fd8122f-37
0.385
TAM-UNI-c140e31a-12
0.384
MAK-UNK-c749d764-27
0.384
CHR-SOS-f7373dd1-5
0.384
KEI-TRE-d5e2018a-77
0.383
MAR-TRE-b77b7921-53
0.383
MAR-TRE-67513f76-92
0.383
MAR-TRE-04c86cea-40
0.382
MAR-TRE-3e4e6814-50
0.382
CHR-SOS-70e4c98a-1
0.380
MAR-TRE-b77b7921-74
0.380
MAR-TRE-9c797165-8
0.380
MAR-TRE-2fd8122f-63
0.379
MAR-TRE-3e4e6814-27
0.379
TAM-UNI-c140e31a-14
0.379
TAM-UNI-c140e31a-6
0.379
DAR-DIA-842b4336-14
0.378
BEN-DND-6de5dfa0-18
0.378
MAR-TRE-9c797165-57
0.378
DAR-DIA-842b4336-2
0.377
MAK-UNK-c749d764-14
0.377
MAK-UNK-c749d764-13
0.377
KEI-TRE-d5e2018a-26
0.376