Molecular Properties | |
SMILES: | CC(C)OCCCc1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
MW: | 396.16 |
Fraction sp3: | 0.3 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 51.22 |
cLogP: | 5.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
MAK-UNK-ffc90da7-3
0.600
MAT-POS-bb423b95-8
0.588
ADA-UCB-6c2cb422-1
0.535
MAT-POS-bb423b95-1
0.529
MAK-UNK-ffc90da7-9
0.519
MAK-UNK-ffc90da7-5
0.505
PET-UNK-8df914d1-1
0.495
EDJ-MED-00c1612e-1
0.495
MAT-POS-f7918075-5
0.484
MIC-UNK-50cce87d-4
0.473
MIC-UNK-50cce87d-3
0.452
MAK-UNK-ffc90da7-6
0.449
MAT-POS-bb423b95-9
0.446
MIC-UNK-50cce87d-2
0.446
PET-UNK-8df914d1-3
0.443
MIC-UNK-50cce87d-1
0.436
TRY-UNI-714a760b-3
0.433
MIC-UNK-08cd9c58-1
0.432
MAT-POS-f7918075-3
0.432
EDJ-MED-a364e151-3
0.426
JAN-GHE-5a013bed-10
0.425
JOH-UNI-3fc3434e-1
0.424
JOH-UNI-ee5ed7c8-1
0.424
MAT-POS-bb423b95-5
0.424
MIC-UNK-d935700b-1
0.424
JOH-UNI-6fede743-1
0.421
ALP-POS-f13221e1-3
0.421
MAT-POS-bb423b95-2
0.421
JOH-UNI-3fc3434e-3
0.418
JOH-UNI-ee5ed7c8-3
0.418
ALF-EVA-0b412456-4
0.418
TRY-UNI-714a760b-6
0.411
DAR-DIA-0cde14eb-49
0.410
ABI-SAT-4d06482b-2
0.407
PET-UNK-b87f07d0-1
0.406
ALP-POS-95b75b4d-8
0.404
SAM-UNK-2684b532-13
0.404
EDG-MED-0da5ad92-21
0.404
JOH-UNI-abfda500-5
0.402
ANN-UNI-98d2bf15-3
0.402
JOH-UNI-abfda500-4
0.402
RAL-THA-2d450e86-8
0.402
RAL-THA-2d450e86-9
0.402
RAL-THA-2d450e86-11
0.402
EDJ-MED-a364e151-2
0.402
ALP-POS-95b75b4d-6
0.400
RAL-THA-2d450e86-13
0.400
MAT-POS-14ad9fe9-1
0.400
EDG-MED-0da5ad92-12
0.400
MAT-POS-f7918075-7
0.398
PET-UNK-c9c1e0d8-2
0.398
JOH-UNI-3fc3434e-2
0.396
JOH-UNI-ee5ed7c8-2
0.396
EDJ-MED-50fe53e8-2
0.396
MAT-POS-f7918075-6
0.396
SAM-UNK-2684b532-11
0.394
MAT-POS-199e2e7c-1
0.392
MAT-POS-23a8a11a-1
0.389
ALP-POS-95b75b4d-7
0.389
RAL-THA-2d450e86-10
0.389
VLA-UCB-00f2c2b3-7
0.389
EDG-MED-0da5ad92-16
0.389
RAL-THA-2d450e86-6
0.388
RAL-THA-2d450e86-12
0.388
EDJ-MED-a364e151-1
0.388
MIC-UNK-8971c93c-1
0.388
MAT-POS-f7918075-4
0.388
MIC-UNK-16ccb665-3
0.386
DAR-DIA-0cde14eb-46
0.386
DAR-DIA-0cde14eb-48
0.386
PET-UNK-c9c1e0d8-1
0.385
EDG-MED-0da5ad92-14
0.385
MAT-POS-281d2ee9-1
0.385
MAK-UNK-6ca90168-23
0.383
RAL-THA-2d450e86-30
0.383
MAT-POS-fce787c2-2
0.383
DAR-DIA-0cde14eb-47
0.382
ALF-EVA-0b412456-3
0.381
PET-UNK-b87f07d0-2
0.380
SAM-UNK-2684b532-12
0.379
PET-UNK-b87f07d0-3
0.378
MIC-UNK-644c43c7-4
0.377
ALF-EVA-0b412456-6
0.377
MAT-POS-3b92565d-2
0.376
JOH-UNI-6fede743-5
0.376
RAL-THA-2d450e86-18
0.376
ALP-POS-3b848b35-1
0.376
MIC-UNK-16ccb665-1
0.375
VLA-UNK-82501c2c-1
0.375
RAL-THA-2d450e86-31
0.374
RAL-THA-2d450e86-15
0.374
JOH-UNI-6fede743-2
0.374
MAT-POS-f7918075-8
0.374
EDJ-MED-976da9a6-1
0.373
PET-UNK-bb7ffe78-3
0.373
RAL-THA-2d450e86-2
0.372
EDG-MED-0da5ad92-17
0.372
RAL-THA-1d44ff04-6
0.371
RAL-THA-1d44ff04-9
0.371
MAT-POS-bb423b95-4
0.371