Molecular Properties | |
SMILES: | CNc1cc(Cl)cc(CNC(=O)Cc2cncc3ccccc23)c1 |
MW: | 339.11 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 54.02 |
cLogP: | 3.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-6c284e65-1
DAR-DIA-6a49afbe-12
0.770
DAR-DIA-6a49afbe-1
0.644
DAR-DIA-6a49afbe-9
0.608
DAR-DIA-6a49afbe-3
0.560
DAR-DIA-6a49afbe-8
0.557
DAR-DIA-6a49afbe-7
0.557
PET-UNK-8922bd3c-1
0.532
DAR-DIA-6a49afbe-6
0.515
DAR-DIA-23aa0b97-20
0.493
NAU-LAT-2fed8305-8
0.469
ERI-UCB-ce40166b-8
0.467
DAR-DIA-23aa0b97-19
0.459
MAT-POS-6344a35d-1
0.454
RAL-THA-1d44ff04-3
0.449
ERI-UCB-ce40166b-5
0.443
RAL-THA-1d44ff04-6
0.440
ERI-UCB-ce40166b-7
0.439
NAU-LAT-a5c7d7cb-8
0.438
ALP-POS-75715966-2
0.432
ERI-UCB-ce40166b-6
0.430
ALP-POS-76eab5ce-2
0.429
DAR-DIA-6a49afbe-10
0.427
ALP-POS-b3306dea-1
0.423
DAR-DIA-6a49afbe-11
0.421
MIC-UNK-a28eba03-2
0.420
MIC-UNK-d36ab305-3
0.417
ALP-POS-c3a96089-4
0.416
MAT-POS-6c284e65-2
0.416
MAT-POS-6c284e65-1
0.414
ALP-POS-c3a96089-3
0.412
MAT-POS-fce787c2-2
0.410
RAL-THA-1d44ff04-9
0.409
LON-WEI-9739a092-7
0.408
MIC-UNK-d36ab305-6
0.404
ERI-UCB-ce40166b-4
0.404
RAL-THA-1d44ff04-5
0.402
MAT-POS-173a45da-1
0.402
NAU-LAT-a5c7d7cb-4
0.402
MIC-UNK-644c43c7-4
0.400
DAR-DIA-6a49afbe-4
0.398
NAU-LAT-a5c7d7cb-5
0.398
RAL-THA-2d450e86-14
0.398
RAL-THA-2d450e86-15
0.398
ALP-POS-7c6e02c7-1
0.394
PET-UNK-bb7ffe78-1
0.393
MAK-UNK-b7886382-4
0.393
MIC-UNK-a28eba03-4
0.393
ERI-UCB-ce40166b-1
0.392
MIC-UNK-a28eba03-3
0.391
MAK-UNK-b7886382-3
0.389
ALP-POS-7c6e02c7-2
0.387
MIC-UNK-a28eba03-1
0.386
RAL-THA-2d450e86-18
0.385
MAT-POS-3b92565d-2
0.385
ALP-POS-3b848b35-1
0.385
ALP-POS-7c6e02c7-3
0.385
ERI-UCB-ce40166b-3
0.384
LON-WEI-9739a092-8
0.382
MIC-UNK-644c43c7-3
0.381
ALP-POS-c3a96089-2
0.381
RAL-THA-2d450e86-17
0.380
MAT-POS-cc05818f-1
0.380
PET-UNK-bb7ffe78-3
0.380
MIC-UNK-16ccb665-3
0.380
RAL-THA-1d44ff04-11
0.379
MAT-POS-281d2ee9-1
0.379
RAL-THA-2d450e86-30
0.376
RAL-THA-1d44ff04-13
0.376
ERI-UCB-ce40166b-2
0.376
ERI-UCB-ce40166b-12
0.376
MIC-UNK-5a93dd5f-10
0.375
NAU-LAT-a5c7d7cb-2
0.375
ALP-POS-25b4df59-1
0.375
MIC-UNK-6ab519a7-1
0.375
DAR-DIA-6a49afbe-5
0.375
NIR-THE-590dedc7-1
0.375
ALP-POS-c3a96089-1
0.375
LON-WEI-9739a092-10
0.374
PET-UNK-8c422e11-1
0.372
LON-WEI-9739a092-1
0.371
DAR-DIA-0587064e-4
0.371
JOH-UNI-ea1df7a8-1
0.371
PET-UNK-1901c25b-1
0.371
ALP-POS-f13221e1-3
0.371
RAL-THA-1d44ff04-4
0.370
ERI-UCB-ce40166b-9
0.369
MIC-UNK-16ccb665-2
0.368
PET-UNK-8c422e11-3
0.368
MIC-UNK-16ccb665-1
0.368
LON-WEI-9739a092-3
0.368
ADA-UCB-6c2cb422-1
0.368
JUL-TUD-06b2044f-52
0.367
DAR-DIA-6a508060-1
0.367
MAK-UNK-b7886382-5
0.367
MAT-POS-bb423b95-7
0.367
BEN-DND-d1eb1f41-4
0.366
PET-UNK-8c422e11-2
0.365
MIC-UNK-08fa0751-2
0.365
JOH-UNI-6e27fddc-9
0.364
LON-WEI-9739a092-2
0.362