Molecular Properties | |
SMILES: | N#Cc1ncc2ccccc2c1NC(=O)Cc1cccc(Cl)c1 |
MW: | 321.07 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 65.78 |
cLogP: | 3.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOH-UNI-ee5ed7c8-8
1.000
JOH-UNI-6fede743-4
0.653
RUB-POS-1325a9ea-18
0.644
JOH-UNI-6fede743-2
0.635
JOH-UNI-3fc3434e-11
0.595
JOH-UNI-ee5ed7c8-11
0.595
JOH-UNI-ee5ed7c8-9
0.561
JOH-UNI-3fc3434e-9
0.561
JIN-POS-6dc588a4-24
0.558
ADA-UCB-6c2cb422-1
0.519
EDJ-MED-50fe53e8-1
0.506
MAT-POS-3cc264b0-1
0.506
JIN-POS-6dc588a4-21
0.481
AGN-NEW-c7b24fe3-4
0.481
MAT-POS-c20a539d-5
0.471
PET-UNK-6314f867-2
0.471
PET-UNK-5ecb6237-1
0.471
EDJ-MED-49816e9b-2
0.467
JOH-UNI-6fede743-5
0.459
RUB-POS-1325a9ea-17
0.457
MAK-UNK-6ca90168-23
0.456
DAR-DIA-076fb6ea-5
0.456
EDG-MED-0da5ad92-13
0.447
JOH-UNI-6fede743-1
0.446
ALP-POS-3b848b35-3
0.444
PET-UNK-a692de38-1
0.443
JIN-POS-6dc588a4-23
0.440
DAR-DIA-6a49afbe-1
0.439
JAN-GHE-5a013bed-10
0.434
JAN-GHE-5a013bed-6
0.432
EDG-MED-0da5ad92-18
0.430
PET-UNK-6314f867-3
0.430
SAM-UNK-2684b532-13
0.429
ALP-POS-95b75b4d-8
0.429
MAT-POS-f7918075-5
0.429
EDJ-MED-c8e7a002-11
0.427
NAU-LAT-a5c7d7cb-10
0.427
PET-UNK-158bee2a-1
0.425
VLA-UNK-4cf5aa07-1
0.425
RAL-THA-2d450e86-12
0.424
MAT-POS-bb423b95-7
0.424
ALP-POS-95b75b4d-6
0.423
JIN-POS-6dc588a4-7
0.422
MAT-POS-bb423b95-9
0.422
JAN-GHE-5a013bed-8
0.421
MIC-UNK-66895286-1
0.421
VLA-UNK-4cf5aa07-2
0.420
MAT-POS-f7918075-6
0.417
EDJ-MED-50fe53e8-2
0.417
JAN-GHE-5a013bed-9
0.413
ABI-SAT-4d06482b-2
0.412
MAT-POS-bb423b95-8
0.412
ALP-POS-f13221e1-3
0.412
JIN-POS-6dc588a4-8
0.410
JOH-UNI-3fc3434e-10
0.409
JOH-UNI-ee5ed7c8-10
0.409
AGN-NEW-c7b24fe3-5
0.407
MAT-POS-f7918075-3
0.407
MIC-UNK-08cd9c58-1
0.407
EDJ-MED-49816e9b-3
0.405
EDG-MED-0da5ad92-12
0.405
MIC-UNK-50cce87d-2
0.405
MAT-POS-bb423b95-1
0.405
EDJ-MED-6ab52e52-1
0.405
MAT-POS-90fd5f68-22
0.404
PET-UNK-158bee2a-4
0.403
EDG-MED-0da5ad92-2
0.403
RUB-POS-1325a9ea-4
0.402
MAT-POS-90fd5f68-40
0.402
TRY-UNI-714a760b-6
0.400
ROB-UNI-daaf9793-1
0.400
PET-UNK-f4e47ebd-1
0.400
PET-UNK-f4e47ebd-2
0.400
BEN-DND-1e24cf73-3
0.400
PET-UNK-b1ef24dc-1
0.400
EDJ-MED-50fe53e8-4
0.400
MAT-POS-e1b5ac6b-1
0.400
PET-UNK-d899bab6-3
0.400
PET-UNK-8df914d1-3
0.400
BEN-DND-02317c5c-9
0.400
DAR-DIA-56cf811e-3
0.400
JIN-POS-6dc588a4-13
0.400
NAU-LAT-a5c7d7cb-11
0.400
MAT-POS-90fd5f68-37
0.398
PET-UNK-12d8d43f-1
0.398
VLA-UCB-05e51b3f-15
0.398
PET-UNK-6c2be958-1
0.398
VLA-UCB-05e51b3f-17
0.398
JIN-POS-6dc588a4-5
0.398
JIN-POS-6dc588a4-3
0.398
SAM-UNK-2684b532-11
0.398
PET-UNK-12d8d43f-2
0.396
DAR-DIA-56cf811e-1
0.396
VLA-UCB-05e51b3f-16
0.396
EDJ-MED-97c1bf5c-1
0.396
DAR-DIA-076fb6ea-1
0.396
EDJ-MED-c5ca5386-1
0.395
EDJ-MED-c8e7a002-7
0.395
RUB-POS-1325a9ea-5
0.395
EDJ-MED-c8e7a002-17
0.395