Molecular Properties | |
SMILES: | CNC(COC(C)C)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
MW: | 411.17 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 63.25 |
cLogP: | 4.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAK-UNK-ffc90da7-8
0.600
MAT-POS-bb423b95-8
0.588
MAK-UNK-ffc90da7-9
0.547
MAT-POS-bb423b95-1
0.547
ADA-UCB-6c2cb422-1
0.535
MAT-POS-f7918075-5
0.517
MAK-UNK-ffc90da7-5
0.505
PET-UNK-8df914d1-1
0.495
EDJ-MED-00c1612e-1
0.495
MAK-UNK-ffc90da7-6
0.476
MIC-UNK-50cce87d-1
0.452
MAT-POS-bb423b95-9
0.446
PET-UNK-8df914d1-3
0.443
MIC-UNK-50cce87d-4
0.442
MAT-POS-bb423b95-5
0.440
MIC-UNK-50cce87d-3
0.436
JOH-UNI-abfda500-4
0.433
TRY-UNI-714a760b-3
0.433
MAK-UNK-ffc90da7-7
0.433
MIC-UNK-08cd9c58-1
0.432
MAT-POS-f7918075-3
0.432
MIC-UNK-50cce87d-2
0.430
TRY-UNI-714a760b-6
0.427
JAN-GHE-5a013bed-10
0.425
JOH-UNI-6fede743-1
0.421
MAT-POS-bb423b95-2
0.421
SAM-UNK-2684b532-13
0.420
ALP-POS-95b75b4d-8
0.420
JOH-UNI-abfda500-5
0.418
ANN-UNI-98d2bf15-3
0.418
RAL-THA-2d450e86-11
0.417
ALP-POS-95b75b4d-6
0.416
MAT-POS-fce787c2-2
0.413
EDJ-MED-a364e151-3
0.411
JOH-UNI-3fc3434e-1
0.410
JOH-UNI-ee5ed7c8-1
0.410
SAM-UNK-2684b532-12
0.409
SAM-UNK-2684b532-11
0.409
MIC-UNK-d935700b-1
0.409
ABI-SAT-4d06482b-2
0.407
ALP-POS-95b75b4d-7
0.404
JOH-UNI-3fc3434e-3
0.404
JOH-UNI-ee5ed7c8-3
0.404
EDG-MED-0da5ad92-14
0.400
RAL-THA-2d450e86-13
0.400
EDG-MED-0da5ad92-12
0.400
PET-UNK-c9c1e0d8-1
0.400
MAK-UNK-6ca90168-23
0.398
JOH-UNI-ee5ed7c8-2
0.396
JOH-UNI-3fc3434e-2
0.396
DAR-DIA-0cde14eb-49
0.396
MAT-POS-bb423b95-3
0.396
ALP-POS-0c2c77e1-1
0.396
ALP-POS-f13221e1-3
0.392
MAT-POS-199e2e7c-1
0.392
RAL-THA-2d450e86-10
0.389
EDG-MED-0da5ad92-16
0.389
EDG-MED-0da5ad92-21
0.389
RAL-THA-2d450e86-8
0.388
EDJ-MED-a364e151-2
0.388
DAR-DIA-0cde14eb-46
0.386
DAR-DIA-0cde14eb-48
0.386
MIC-UNK-16ccb665-3
0.386
ALP-POS-95b75b4d-5
0.385
MAT-POS-bb423b95-4
0.385
RAL-THA-1d44ff04-6
0.385
MAT-POS-281d2ee9-1
0.385
RAL-THA-1d44ff04-9
0.385
MAT-POS-f7918075-7
0.384
RAL-THA-2d450e86-30
0.383
DAR-DIA-0cde14eb-47
0.382
EDJ-MED-50fe53e8-2
0.381
MAT-POS-f7918075-6
0.381
RAL-THA-1d44ff04-3
0.379
MIC-UNK-644c43c7-4
0.377
ALF-EVA-0b412456-6
0.377
ALP-POS-3b848b35-1
0.376
RAL-THA-2d450e86-18
0.376
MAT-POS-3b92565d-2
0.376
VLA-UNK-82501c2c-1
0.375
VLA-UCB-00f2c2b3-7
0.375
MAT-POS-23a8a11a-1
0.375
MIC-UNK-8971c93c-1
0.374
MAT-POS-f7918075-4
0.374
RAL-THA-2d450e86-12
0.374
RAL-THA-2d450e86-9
0.374
RAL-THA-2d450e86-31
0.374
RAL-THA-2d450e86-6
0.374
MAT-POS-f7918075-8
0.374
EDJ-MED-a364e151-1
0.374
RAL-THA-2d450e86-15
0.374
MAT-POS-14ad9fe9-1
0.373
EDJ-MED-976da9a6-2
0.373
EDG-MED-0da5ad92-17
0.372
RAL-THA-2d450e86-2
0.372
RAL-THA-1d44ff04-11
0.371
EDJ-MED-c8e7a002-12
0.371
ALP-POS-f13221e1-2
0.370
PET-UNK-c9c1e0d8-2
0.370
PET-UNK-bb7ffe78-1
0.370