Molecular Properties | |
SMILES: | O=C(CC1(Cc2ccccc2)CCCC1)Nc1cccnc1 |
MW: | 294.398 |
Fraction sp3: | 0.37 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 41.99 |
cLogP: | 4.2133 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHR-SOS-59746812-5
0.946
CHR-SOS-59746812-2
0.767
CHR-SOS-59746812-6
0.726
CHR-SOS-59746812-3
0.597
CHR-SOS-59746812-4
0.568
CHR-SOS-f7373dd1-4
0.536
MAR-TRE-2fd8122f-32
0.533
SAN-PRS-52b81272-2
0.532
PET-SGC-d0156db4-2
0.527
MAR-TRE-f6f5f473-52
0.527
CHR-SOS-f7373dd1-1
0.521
CHR-SOS-f7373dd1-5
0.515
CHR-SOS-70e4c98a-3
0.514
MED-UNK-e6e8ef8a-6
0.507
CHR-SOS-70e4c98a-8
0.507
MAR-TRE-04c86cea-81
0.507
CHR-SOS-f7373dd1-2
0.500
CHR-SOS-70e4c98a-1
0.500
CHR-SOS-70e4c98a-6
0.500
MAK-UNK-b2c98f02-6
0.500
MAR-TRE-74c6519b-47
0.472
NAU-LAT-445f63e5-6
0.468
CHR-SOS-b301fc01-2
0.468
MAR-TRE-67513f76-81
0.458
MAR-TRE-7f7bb9f0-46
0.452
CHR-SOS-b301fc01-5
0.450
MAR-TRE-04c86cea-97
0.446
CHR-SOS-b301fc01-3
0.443
MAK-UNK-ca11b4f7-1
0.443
JOH-IMS-62aeb97d-5
0.443
CHR-SOS-f7373dd1-6
0.442
AUS-ARG-7cfdce8f-11
0.441
CHR-SOS-b301fc01-1
0.439
SAD-SAT-24589cd1-4
0.433
CHR-SOS-f7373dd1-3
0.430
ALE-HEI-f28a35b5-14
0.424
CHR-SOS-54d5cf3e-8
0.424
CHR-SOS-b301fc01-6
0.422
CHR-SOS-54d5cf3e-7
0.422
MAR-TRE-d0525fbf-91
0.419
CHR-SOS-b301fc01-7
0.417
CHR-SOS-70e4c98a-5
0.415
CHR-SOS-54d5cf3e-2
0.412
CHR-SOS-54d5cf3e-1
0.412
CHR-SOS-54d5cf3e-6
0.412
MAK-UNK-c749d764-27
0.411
MAR-TRE-b77b7921-91
0.410
FRA-FAC-9ed5a63a-1
0.408
DAR-DIA-23aa0b97-16
0.408
AAR-POS-d2a4d1df-13
0.408
ALE-HEI-f28a35b5-9
0.408
MAK-UNK-c749d764-17
0.408
CHR-SOS-b301fc01-4
0.407
MAK-UNK-a7b37c5e-4
0.406
CHR-SOS-e960e883-2
0.405
EDG-MED-0da5ad92-2
0.403
MED-UNK-e6e8ef8a-5
0.403
DAR-DIA-842b4336-11
0.403
CHR-SOS-54d5cf3e-4
0.402
AAR-POS-d2a4d1df-11
0.400
MAK-UNK-a7b37c5e-5
0.400
CHR-SOS-70e4c98a-2
0.400
WAR-XCH-e55cba98-10
0.398
CHR-SOS-54d5cf3e-5
0.398
CHR-SOS-54d5cf3e-3
0.398
MAR-TRE-b77b7921-52
0.398
CHR-SOS-e960e883-3
0.398
MAK-UNK-a7b37c5e-2
0.397
FRA-FAC-9ed5a63a-2
0.397
MED-UNK-e6e8ef8a-2
0.397
WAR-XCH-e55cba98-13
0.396
CHR-SOS-e960e883-1
0.395
CHR-SOS-70e4c98a-11
0.395
WIL-UNI-5578df48-3
0.395
ANN-UNI-26382800-5
0.395
DAR-DIA-842b4336-10
0.394
CHR-SOS-70e4c98a-4
0.391
MAK-UNK-a7b37c5e-1
0.389
MAK-UNK-b2c98f02-7
0.389
MED-UNK-e6e8ef8a-4
0.387
MAR-TRE-9c797165-80
0.387
MAK-UNK-c749d764-13
0.385
MAR-TRE-04c86cea-76
0.384
CHR-SOS-70e4c98a-9
0.384
WIL-UNI-5578df48-2
0.382
CHR-SOS-70e4c98a-12
0.382
MAK-UNK-b2c98f02-5
0.382
MAK-UNK-b2c98f02-9
0.382
PET-SGC-1fc12be1-1
0.382
MAK-UNK-ca11b4f7-3
0.381
MAR-TRE-2fd8122f-60
0.380
MED-UNK-e6e8ef8a-3
0.378
MAR-TRE-7f7bb9f0-68
0.378
SAN-PRS-52b81272-3
0.377
DAR-DIA-23aa0b97-17
0.377
MAK-UNK-009ebe36-8
0.376
CHR-SOS-70e4c98a-7
0.376
CHA-MCP-85291e1d-4
0.375
MAR-TRE-2fd8122f-54
0.373
BAR-COM-21d20d65-4
0.373