Molecular Properties | |
SMILES: | O=C(CC1(c2ccccc2)CCCCC1)Nc1cccnc1 |
MW: | 294.398 |
Fraction sp3: | 0.37 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 4.3123 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHR-SOS-f7373dd1-4
0.927
CHR-SOS-f7373dd1-2
0.780
CHR-SOS-f7373dd1-5
0.717
CHR-SOS-e960e883-1
0.622
CHR-SOS-e960e883-2
0.573
CHR-SOS-f7373dd1-3
0.569
CHR-SOS-70e4c98a-1
0.563
CHR-SOS-59746812-5
0.557
MED-UNK-e6e8ef8a-6
0.554
CHR-SOS-e960e883-3
0.547
CHR-SOS-70e4c98a-3
0.535
CHR-SOS-70e4c98a-8
0.529
CHR-SOS-70e4c98a-6
0.522
CHR-SOS-59746812-1
0.521
CHR-SOS-f7373dd1-6
0.521
CHR-SOS-59746812-6
0.507
MAK-UNK-b2c98f02-6
0.500
PET-SGC-d0156db4-2
0.487
CHR-SOS-59746812-2
0.472
CHR-SOS-b301fc01-2
0.468
MAR-TRE-f6f5f473-52
0.468
JOH-IMS-62aeb97d-5
0.467
CHR-SOS-54d5cf3e-1
0.463
AUS-ARG-7cfdce8f-11
0.463
CHR-SOS-b301fc01-3
0.462
SAN-PRS-52b81272-2
0.462
MAR-TRE-67513f76-81
0.458
CHR-SOS-b301fc01-1
0.457
MAR-TRE-2fd8122f-32
0.456
MAR-TRE-7f7bb9f0-46
0.452
CHR-SOS-70e4c98a-2
0.451
CHR-SOS-b301fc01-5
0.450
CHR-SOS-59746812-4
0.450
ALE-HEI-f28a35b5-9
0.449
AAR-POS-d2a4d1df-13
0.449
FRA-FAC-9ed5a63a-1
0.449
MAR-TRE-04c86cea-81
0.447
WAR-XCH-e55cba98-10
0.447
CHR-SOS-54d5cf3e-3
0.447
CHR-SOS-54d5cf3e-2
0.446
WAR-XCH-e55cba98-13
0.443
MAK-UNK-ca11b4f7-1
0.443
CHR-SOS-54d5cf3e-8
0.440
CHR-SOS-54d5cf3e-7
0.439
CHR-SOS-b301fc01-6
0.439
CHR-SOS-54d5cf3e-4
0.435
CHR-SOS-b301fc01-7
0.434
CHR-SOS-70e4c98a-5
0.432
CHR-SOS-54d5cf3e-6
0.429
WIL-UNI-5578df48-2
0.424
ALE-HEI-f28a35b5-14
0.424
CHR-SOS-b301fc01-4
0.424
MED-UNK-e6e8ef8a-5
0.423
ADA-UNI-f8e79267-6
0.421
CHR-SOS-59746812-3
0.420
PET-SGC-1fc12be1-1
0.419
TAM-UNI-c140e31a-10
0.418
MAR-TRE-b77b7921-52
0.415
CHR-SOS-54d5cf3e-5
0.414
CHR-SOS-70e4c98a-12
0.414
MAR-TRE-74c6519b-47
0.413
CHR-SOS-70e4c98a-11
0.412
SAD-SAT-24589cd1-4
0.412
MAR-TRE-b77b7921-91
0.410
MAR-TRE-04c86cea-86
0.408
ADA-UNI-f8e79267-3
0.407
MED-UNK-e6e8ef8a-4
0.405
MAR-TRE-04c86cea-76
0.400
AAR-POS-d2a4d1df-11
0.400
MAK-UNK-a7b37c5e-2
0.397
FRA-FAC-9ed5a63a-2
0.397
MED-UNK-e6e8ef8a-3
0.397
MED-UNK-e6e8ef8a-2
0.397
MAR-TRE-7f7bb9f0-68
0.395
DAR-DIA-842b4336-10
0.394
ALE-HEI-f28a35b5-8
0.394
MAK-UNK-c749d764-27
0.392
CHR-SOS-70e4c98a-4
0.391
MAR-TRE-04c86cea-97
0.390
MAK-UNK-c749d764-17
0.389
MAK-UNK-a7b37c5e-1
0.389
MAR-TRE-9c797165-80
0.387
MAK-UNK-a7b37c5e-4
0.386
MAR-TRE-9c797165-52
0.385
MAK-UNK-c749d764-13
0.385
CHR-SOS-70e4c98a-9
0.384
DAR-DIA-842b4336-11
0.384
EDG-MED-0da5ad92-2
0.384
MAR-TRE-d0525fbf-91
0.382
MAK-UNK-a7b37c5e-5
0.380
NAU-LAT-64f4b287-10
0.380
ASH-UNK-40b46b30-3
0.380
BEN-DND-362d364a-12
0.380
PET-SGC-d0156db4-1
0.380
MAR-TRE-74c6519b-91
0.380
PET-SGC-b0f8bd49-1
0.380
DRE-WAB-ae4a693c-1
0.380
DAR-DIA-842b4336-16
0.378
NAU-LAT-445f63e5-6
0.378
MAR-TRE-b77b7921-97
0.378