Molecular Properties | |
SMILES: | O=C(CC1(c2ccccc2)CCCC1)Nc1cccnc1 |
MW: | 280.371 |
Fraction sp3: | 0.33 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 3.9222 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule Ultimate: | LWRPWOQWTSVUJW-UHFFFAOYSA-N |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-04-27 |
CHR-SOS-f7373dd1-1
0.927
CHR-SOS-f7373dd1-5
0.772
CHR-SOS-f7373dd1-2
0.717
CHR-SOS-e960e883-2
0.611
CHR-SOS-e960e883-1
0.573
CHR-SOS-e960e883-3
0.562
CHR-SOS-f7373dd1-6
0.557
CHR-SOS-70e4c98a-3
0.551
CHR-SOS-70e4c98a-8
0.544
CHR-SOS-70e4c98a-6
0.537
CHR-SOS-59746812-1
0.536
CHR-SOS-70e4c98a-1
0.535
CHR-SOS-59746812-5
0.529
MED-UNK-e6e8ef8a-6
0.523
CHR-SOS-f7373dd1-3
0.521
CHR-SOS-59746812-2
0.486
JOH-IMS-62aeb97d-5
0.483
CHR-SOS-59746812-6
0.479
AUS-ARG-7cfdce8f-11
0.477
SAN-PRS-52b81272-2
0.476
MAR-TRE-67513f76-81
0.474
MAR-TRE-7f7bb9f0-46
0.465
MAK-UNK-ca11b4f7-1
0.458
MAK-UNK-b2c98f02-6
0.457
CHR-SOS-70e4c98a-5
0.443
CHR-SOS-b301fc01-2
0.442
MAR-TRE-f6f5f473-52
0.442
PET-SGC-d0156db4-2
0.442
AAR-POS-d2a4d1df-13
0.441
FRA-FAC-9ed5a63a-1
0.441
ALE-HEI-f28a35b5-9
0.441
CHR-SOS-54d5cf3e-1
0.439
WIL-UNI-5578df48-2
0.438
ALE-HEI-f28a35b5-14
0.438
CHR-SOS-b301fc01-3
0.436
MED-UNK-e6e8ef8a-5
0.435
ADA-UNI-f8e79267-6
0.432
CHR-SOS-b301fc01-1
0.432
CHR-SOS-59746812-3
0.430
MAR-TRE-2fd8122f-32
0.430
CHR-SOS-70e4c98a-2
0.427
MAR-TRE-04c86cea-76
0.427
CHR-SOS-59746812-4
0.425
CHR-SOS-b301fc01-5
0.425
MAR-TRE-74c6519b-47
0.425
SAD-SAT-24589cd1-4
0.424
WAR-XCH-e55cba98-10
0.424
CHR-SOS-54d5cf3e-3
0.424
CHR-SOS-70e4c98a-11
0.423
CHR-SOS-54d5cf3e-2
0.422
MAR-TRE-04c86cea-81
0.421
MAR-TRE-b77b7921-91
0.421
WAR-XCH-e55cba98-13
0.420
CHR-SOS-54d5cf3e-8
0.417
MED-UNK-e6e8ef8a-4
0.417
CHR-SOS-54d5cf3e-7
0.415
CHR-SOS-b301fc01-6
0.415
AAR-POS-d2a4d1df-11
0.413
CHR-SOS-54d5cf3e-4
0.412
TAM-UNI-c140e31a-10
0.410
CHR-SOS-b301fc01-7
0.410
MED-UNK-e6e8ef8a-3
0.408
FRA-FAC-9ed5a63a-2
0.408
MED-UNK-e6e8ef8a-2
0.408
MAK-UNK-a7b37c5e-2
0.408
DAR-DIA-842b4336-10
0.406
MAR-TRE-7f7bb9f0-68
0.405
CHR-SOS-54d5cf3e-6
0.405
MAK-UNK-c749d764-27
0.403
ADA-UNI-f8e79267-3
0.400
CHR-SOS-b301fc01-4
0.400
MAK-UNK-a7b37c5e-1
0.400
CHR-SOS-70e4c98a-4
0.400
MAK-UNK-c749d764-17
0.400
MAR-TRE-04c86cea-97
0.400
MAR-TRE-9c797165-80
0.397
MAK-UNK-a7b37c5e-4
0.397
MAK-UNK-c749d764-13
0.395
DAR-DIA-842b4336-11
0.394
CHR-SOS-70e4c98a-9
0.393
MAR-TRE-d0525fbf-91
0.392
PET-SGC-1fc12be1-1
0.392
MAK-UNK-a7b37c5e-5
0.391
CHR-SOS-54d5cf3e-5
0.391
CHR-SOS-70e4c98a-12
0.391
MAR-TRE-b77b7921-52
0.390
NAU-LAT-64f4b287-10
0.390
MAR-TRE-74c6519b-91
0.390
DAR-DIA-842b4336-16
0.389
SAN-PRS-52b81272-3
0.388
NAU-LAT-445f63e5-6
0.388
MAR-TRE-b77b7921-97
0.388
ALE-HEI-f28a35b5-8
0.386
CHR-SOS-70e4c98a-7
0.386
MAR-TRE-3e4e6814-62
0.385
MAR-TRE-3e4e6814-67
0.385
MAR-TRE-04c86cea-86
0.382
DAR-DIA-23aa0b97-16
0.380
MAR-TRE-9c797165-8
0.380
WIL-UNI-5578df48-1
0.378