Molecular Properties | |
SMILES: | O=C(CC1(Oc2ccccc2)CC1)Nc1cccnc1 |
MW: | 268.316 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 51.22 |
cLogP: | 3.0218 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHR-SOS-70e4c98a-8
0.891
CHR-SOS-70e4c98a-3
0.860
CHR-SOS-70e4c98a-1
0.831
CHR-SOS-70e4c98a-11
0.692
CHR-SOS-70e4c98a-5
0.614
CHR-SOS-70e4c98a-7
0.606
CHR-SOS-70e4c98a-2
0.589
CHR-SOS-70e4c98a-9
0.547
CHR-SOS-f7373dd1-4
0.537
CHR-SOS-70e4c98a-4
0.532
CHR-SOS-f7373dd1-1
0.522
CHR-SOS-70e4c98a-12
0.519
CHR-SOS-59746812-1
0.500
CHR-SOS-59746812-5
0.493
MAR-TRE-7f7bb9f0-46
0.493
MED-UNK-e6e8ef8a-6
0.485
SAN-PRS-52b81272-2
0.484
MAR-TRE-67513f76-81
0.482
CHR-SOS-f7373dd1-5
0.471
MAK-UNK-ca11b4f7-1
0.466
JOH-IMS-62aeb97d-5
0.466
AUS-ARG-7cfdce8f-11
0.462
SAN-PRS-52b81272-3
0.460
CHR-SOS-f7373dd1-2
0.457
CHR-SOS-59746812-2
0.451
ALE-HEI-f28a35b5-14
0.444
CHR-SOS-59746812-6
0.444
MAR-TRE-74c6519b-47
0.431
CHR-SOS-b301fc01-2
0.429
MAK-UNK-b2c98f02-6
0.427
WIL-UNI-5578df48-2
0.422
CHR-SOS-f7373dd1-6
0.421
AAR-POS-d2a4d1df-11
0.419
CHR-SOS-59746812-3
0.418
MAK-UNK-a7b37c5e-2
0.414
CHR-SOS-59746812-4
0.412
CHR-SOS-f7373dd1-3
0.410
PET-SGC-d0156db4-2
0.410
MAR-TRE-f6f5f473-52
0.410
SAD-SAT-24589cd1-4
0.409
MAR-TRE-b77b7921-91
0.408
MAK-UNK-a7b37c5e-1
0.406
MAK-UNK-c749d764-17
0.406
AAR-POS-d2a4d1df-13
0.406
ALE-HEI-f28a35b5-9
0.406
FRA-FAC-9ed5a63a-1
0.406
MAR-TRE-04c86cea-97
0.405
CHR-SOS-b301fc01-3
0.405
MAK-UNK-a7b37c5e-4
0.403
CHR-SOS-b301fc01-1
0.402
CHR-SOS-54d5cf3e-7
0.402
DAR-DIA-842b4336-11
0.400
ADA-UNI-f8e79267-6
0.400
MAR-TRE-2fd8122f-32
0.400
MED-UNK-e6e8ef8a-5
0.400
MAR-TRE-d0525fbf-91
0.397
MAK-UNK-a7b37c5e-5
0.397
KEI-TRE-d5e2018a-64
0.395
MAR-TRE-4b834d9a-45
0.395
KEI-TRE-d5e2018a-37
0.395
MAR-TRE-2fd8122f-91
0.395
CHR-SOS-e960e883-3
0.395
CHR-SOS-b301fc01-5
0.395
MED-UNK-e6e8ef8a-2
0.394
MED-UNK-e6e8ef8a-3
0.394
FRA-FAC-9ed5a63a-2
0.394
CHR-SOS-54d5cf3e-6
0.393
CHR-SOS-54d5cf3e-1
0.393
NAU-LAT-445f63e5-6
0.392
MAR-TRE-67513f76-73
0.392
DAR-DIA-842b4336-10
0.391
CHR-SOS-363cfb78-3
0.390
MAR-TRE-4b834d9a-31
0.390
MAR-TRE-04c86cea-81
0.390
MAK-UNK-c749d764-27
0.389
CHR-SOS-54d5cf3e-8
0.388
MAR-TRE-4b834d9a-49
0.388
MAR-TRE-7f7bb9f0-90
0.387
MAK-UNK-b2c98f02-7
0.386
DAR-DIA-23aa0b97-16
0.386
CHR-SOS-e960e883-2
0.386
CHR-SOS-b301fc01-6
0.386
CHR-SOS-7098f804-18
0.385
MAR-TRE-9c797165-8
0.385
MED-UNK-e6e8ef8a-4
0.384
MAK-UNK-d1e89583-1
0.382
MAR-TRE-2fd8122f-27
0.382
MAK-UNK-c749d764-13
0.382
MAR-TRE-9c797165-52
0.382
CHR-SOS-b301fc01-7
0.381
DAR-DIA-842b4336-13
0.380
EDG-MED-0da5ad92-2
0.380
ALE-HEI-f28a35b5-5
0.380
DAR-DIA-842b4336-12
0.380
TAM-UNI-c140e31a-10
0.380
MAR-TRE-74c6519b-58
0.380
WAR-XCH-e55cba98-10
0.379
CHR-SOS-54d5cf3e-3
0.379
ALE-HEI-f28a35b5-15
0.379
MAR-TRE-2fd8122f-57
0.378