Molecular Properties | |
SMILES: | O=C(CC1(Cc2ccccc2)CCCCC1)Nc1cccnc1 |
MW: | 308.425 |
Fraction sp3: | 0.4 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 41.99 |
cLogP: | 4.6034 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHR-SOS-59746812-1
0.946
CHR-SOS-59746812-6
0.770
CHR-SOS-59746812-2
0.726
CHR-SOS-59746812-4
0.603
CHR-SOS-59746812-3
0.568
MAR-TRE-2fd8122f-32
0.568
MAR-TRE-f6f5f473-52
0.562
PET-SGC-d0156db4-2
0.562
CHR-SOS-f7373dd1-1
0.557
MED-UNK-e6e8ef8a-6
0.545
MAR-TRE-04c86cea-81
0.542
CHR-SOS-f7373dd1-2
0.536
CHR-SOS-70e4c98a-1
0.534
MAK-UNK-b2c98f02-6
0.532
CHR-SOS-f7373dd1-4
0.529
SAN-PRS-52b81272-2
0.524
CHR-SOS-f7373dd1-5
0.507
CHR-SOS-70e4c98a-3
0.507
CHR-SOS-70e4c98a-8
0.500
CHR-SOS-b301fc01-2
0.500
CHR-SOS-70e4c98a-6
0.493
CHR-SOS-b301fc01-5
0.481
CHR-SOS-b301fc01-3
0.474
CHR-SOS-b301fc01-1
0.469
MAR-TRE-74c6519b-47
0.466
NAU-LAT-445f63e5-6
0.462
CHR-SOS-f7373dd1-3
0.462
CHR-SOS-54d5cf3e-8
0.452
CHR-SOS-b301fc01-6
0.451
CHR-SOS-54d5cf3e-7
0.451
MAR-TRE-67513f76-81
0.450
MAR-TRE-7f7bb9f0-46
0.446
CHR-SOS-b301fc01-7
0.446
CHR-SOS-54d5cf3e-2
0.440
CHR-SOS-54d5cf3e-6
0.440
CHR-SOS-54d5cf3e-1
0.440
MAR-TRE-04c86cea-97
0.440
CHR-SOS-f7373dd1-6
0.436
MAK-UNK-ca11b4f7-1
0.435
JOH-IMS-62aeb97d-5
0.435
CHR-SOS-b301fc01-4
0.435
AUS-ARG-7cfdce8f-11
0.435
CHR-SOS-54d5cf3e-4
0.430
CHR-SOS-70e4c98a-2
0.429
MAR-TRE-b77b7921-52
0.427
SAD-SAT-24589cd1-4
0.426
CHR-SOS-54d5cf3e-3
0.425
WAR-XCH-e55cba98-10
0.425
CHR-SOS-54d5cf3e-5
0.425
CHR-SOS-e960e883-1
0.424
ALE-HEI-f28a35b5-9
0.423
FRA-FAC-9ed5a63a-1
0.423
AAR-POS-d2a4d1df-13
0.423
WAR-XCH-e55cba98-13
0.422
ALE-HEI-f28a35b5-14
0.418
EDG-MED-0da5ad92-2
0.417
MAR-TRE-d0525fbf-91
0.413
PET-SGC-1fc12be1-1
0.413
CHR-SOS-70e4c98a-5
0.410
CHR-SOS-70e4c98a-12
0.409
ANN-UNI-26382800-5
0.408
MAK-UNK-c749d764-27
0.405
MAR-TRE-b77b7921-91
0.405
DAR-DIA-23aa0b97-16
0.403
MAK-UNK-c749d764-17
0.403
MAR-TRE-04c86cea-86
0.403
CHR-SOS-e960e883-2
0.400
MAK-UNK-a7b37c5e-4
0.400
MED-UNK-e6e8ef8a-5
0.397
DAR-DIA-842b4336-11
0.397
MAK-UNK-a7b37c5e-5
0.394
AAR-POS-d2a4d1df-11
0.394
MAK-UNK-b2c98f02-5
0.393
CHR-SOS-e960e883-3
0.393
MED-UNK-e6e8ef8a-2
0.392
FRA-FAC-9ed5a63a-2
0.392
MAK-UNK-a7b37c5e-2
0.392
CHR-SOS-70e4c98a-11
0.390
WIL-UNI-5578df48-3
0.390
DAR-DIA-842b4336-10
0.389
CHR-SOS-70e4c98a-4
0.386
MAK-UNK-b2c98f02-7
0.385
CHA-MCP-85291e1d-2
0.385
MAK-UNK-a7b37c5e-1
0.384
CHA-MCP-85291e1d-1
0.383
MAR-TRE-9c797165-80
0.382
MED-UNK-e6e8ef8a-4
0.382
CHA-MCP-85291e1d-5
0.380
MAR-TRE-9c797165-52
0.380
MAK-UNK-c749d764-13
0.380
MAR-TRE-04c86cea-76
0.379
CHR-SOS-70e4c98a-9
0.379
MAK-UNK-b2c98f02-9
0.378
WIL-UNI-5578df48-2
0.377
MAR-TRE-2fd8122f-39
0.376
MAR-TRE-2fd8122f-60
0.375
MAK-UNK-ca11b4f7-3
0.375
MAR-TRE-7f7bb9f0-68
0.373
MED-UNK-e6e8ef8a-3
0.373
CHR-SOS-70e4c98a-7
0.372