Molecular Properties | |
SMILES: | O=C(Cc1cncc2ccccc12)NC1CCNc2ccc(Cl)cc21 |
MW: | 351.11 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 54.02 |
cLogP: | 4.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-6c284e65-1
DAR-DIA-6a49afbe-11
0.570
DAR-DIA-6a49afbe-8
0.473
DAR-DIA-6a49afbe-1
0.472
EDJ-MED-92e193ae-1
0.465
EDJ-MED-92e193ae-2
0.465
ALP-POS-477dc5b7-2
0.465
MIC-UNK-91acba05-5
0.465
DAR-DIA-6a49afbe-7
0.457
ERI-UCB-ce40166b-5
0.452
PET-UNK-8922bd3c-1
0.451
MAT-POS-e69ad64a-1
0.448
DAR-DIA-6a49afbe-9
0.444
DAR-DIA-6a508060-1
0.436
DAR-DIA-6a49afbe-2
0.427
ERI-UCB-ce40166b-6
0.426
ERI-UCB-ce40166b-8
0.417
DAR-DIA-23aa0b97-20
0.414
NAU-LAT-2fed8305-8
0.413
DAR-DIA-6a49afbe-12
0.406
MAR-UCB-6ab2ec87-1
0.406
ERI-UCB-ce40166b-1
0.404
MIC-UNK-a28eba03-2
0.400
DAR-DIA-b4e9dd8d-5
0.398
DAR-DIA-b4e9dd8d-2
0.398
DAR-DIA-b4e9dd8d-4
0.398
ERI-UCB-ce40166b-9
0.394
MIC-UNK-5b1ead09-5
0.394
DAR-DIA-23aa0b97-19
0.392
MIC-UNK-a28eba03-4
0.391
ERI-UCB-ce40166b-4
0.388
DAR-DIA-6a49afbe-4
0.383
ALP-POS-b3306dea-1
0.380
ALF-EVA-a24cc7ce-6
0.377
ERI-UCB-ce40166b-2
0.376
ERI-UCB-ce40166b-12
0.376
MAT-POS-173a45da-1
0.374
ERI-UCB-ce40166b-10
0.372
JOH-UNI-ea1df7a8-1
0.371
ERI-UCB-ce40166b-7
0.369
BEN-DND-d1eb1f41-3
0.368
DAR-DIA-6a49afbe-3
0.366
MAR-UCB-6ab2ec87-2
0.365
ROB-UNI-322e8f70-2
0.364
NAU-LAT-a5c7d7cb-8
0.363
MIC-UNK-d36ab305-6
0.362
ROB-UNI-322e8f70-1
0.362
MIC-UNK-d36ab305-3
0.361
VLA-UNK-f49ebb87-1
0.358
DAR-DIA-70d163b2-2
0.358
MIC-UNK-a28eba03-1
0.357
MAT-POS-86c60949-2
0.357
MAT-POS-6344a35d-1
0.357
BEN-DND-d1eb1f41-10
0.357
MIC-UNK-45817b9b-1
0.355
EDJ-MED-a6bd50ad-1
0.355
MAT-POS-43c25e9b-2
0.355
MAT-POS-43c25e9b-1
0.355
DAR-DIA-ecdbc7dd-17
0.353
PET-UNK-f860268d-6
0.353
PET-UNK-f860268d-3
0.353
DAR-DIA-ecdbc7dd-15
0.351
ALP-POS-75715966-2
0.349
ALP-POS-fe871b40-10
0.349
ALP-UNI-ba800595-2
0.349
NAU-LAT-a5c7d7cb-4
0.349
PET-UNK-e274cad4-9
0.349
JUL-TUD-06b2044f-53
0.347
MIC-UNK-a28eba03-3
0.347
EDJ-MED-2f867453-1
0.346
MAT-POS-f9802937-9
0.346
BEN-DND-f2e727cd-2
0.346
MAT-POS-78e1d523-5
0.346
ALP-POS-477dc5b7-1
0.346
PET-UNK-c5865d42-1
0.346
ALP-UNI-3735e77e-4
0.346
MAT-POS-f9802937-8
0.346
MAT-POS-78e1d523-6
0.346
ALP-UNI-ba800595-1
0.346
MIC-UNK-91acba05-4
0.346
ERI-UCB-ce40166b-3
0.345
RAL-THA-2d450e86-27
0.343
MAK-UNK-b7886382-5
0.343
PET-UNK-b1ef24dc-9
0.343
JUL-TUD-06b2044f-52
0.343
LUO-POS-ba0d8665-1
0.343
ALF-EVA-82cf4849-2
0.342
ALP-POS-fe871b40-2
0.342
YVE-CNR-7d92d73e-1
0.342
DAR-DIA-70d163b2-3
0.340
ALF-EVA-82cf4849-1
0.339
PET-UNK-b1ef24dc-10
0.339
DAR-DIA-0f2f46c9-12
0.339
PET-UNK-1b92fa34-1
0.339
ALF-EVA-b701bd13-5
0.339
DAR-DIA-6be260fc-5
0.339
DAR-DIA-0f2f46c9-11
0.339
MIC-UNK-460e637d-3
0.339
ALP-POS-c3a96089-4
0.339
DAR-DIA-6a49afbe-5
0.339
MAT-POS-6c284e65-2
0.339