Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(CC(=O)Nc3cnccc3C)cc(Cl)cc12 |
MW: | 384.14 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 86.88 |
cLogP: | 3.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
NAU-LAT-0543f7f2-3
1.000
NAU-LAT-0543f7f2-4
0.774
PET-SGC-1c3a473d-1
0.741
NAU-LAT-30527ac5-4
0.638
NAU-LAT-30527ac5-6
0.577
NAU-LAT-30527ac5-2
0.522
RAM-SYN-2a37ce6c-3
0.505
TAM-UNI-c140e31a-2
0.484
ROB-UNI-b2e39629-4
0.483
BEN-DND-362d364a-8
0.483
RAL-THA-6b94ceba-5
0.473
MIC-UNK-ea979c74-3
0.456
NAU-LAT-0543f7f2-8
0.449
NAU-LAT-0543f7f2-1
0.449
DAR-DIA-fb20be43-15
0.449
EDG-MED-0da5ad92-8
0.442
TRY-UNI-2eddb1ff-2
0.442
TRY-UNI-714a760b-6
0.437
RAL-THA-6b94ceba-9
0.427
WIL-MOD-03b86a88-3
0.421
ROB-UNI-b2e39629-6
0.418
RAL-THA-6b94ceba-8
0.417
RAL-THA-6b94ceba-10
0.414
DUN-NEW-f8ce3686-21
0.413
EDG-MED-0da5ad92-7
0.412
WIL-MOD-03b86a88-2
0.412
RAL-THA-6b94ceba-6
0.409
MAT-POS-c9973a83-1
0.409
RAL-THA-6b94ceba-11
0.408
MAT-POS-e501d84c-1
0.408
RAL-THA-6b94ceba-3
0.408
RAL-THA-6b94ceba-12
0.406
MAK-UNK-6ca90168-26
0.405
ALP-POS-f13221e1-4
0.402
NAU-LAT-0543f7f2-7
0.402
RAL-THA-6b94ceba-7
0.400
ALP-POS-95b75b4d-1
0.400
NAU-LAT-0543f7f2-5
0.400
RAL-THA-6b94ceba-13
0.400
ENA-ENA-cf881d10-1
0.400
MAK-UNK-f203cb68-4
0.398
EDJ-MED-c9f55a56-1
0.398
RAL-THA-6b94ceba-15
0.396
VLA-UCB-00f2c2b3-1
0.396
THO-SYG-cc9e9a11-2
0.396
RAL-THA-6b94ceba-1
0.394
JOH-UNI-abfda500-6
0.393
ANN-UNI-98d2bf15-1
0.393
TAM-UNI-c140e31a-3
0.393
RAL-THA-6b94ceba-14
0.392
RAL-THA-6b94ceba-16
0.392
WIL-MOD-03b86a88-5
0.392
NAT-WAB-78d8bb1c-1
0.388
WIL-MOD-03b86a88-6
0.388
EDJ-MED-e58735b6-4
0.388
NAU-LAT-0543f7f2-2
0.385
DAR-DIA-23e5a6a0-30
0.385
NAU-LAT-0543f7f2-6
0.384
JAN-GHE-83b26c96-11
0.384
TRY-UNI-714a760b-5
0.384
SAN-PRS-3c4a6997-1
0.382
AAR-POS-d2a4d1df-3
0.382
MAK-UNK-6435e6c2-8
0.382
RAL-THA-6b94ceba-4
0.381
ASH-UNK-40b46b30-7
0.381
MAT-POS-f42f3716-1
0.381
MAT-POS-590ac91e-6
0.379
MAT-POS-f42f3716-6
0.379
MAT-POS-044491d2-3
0.379
GAB-REV-70cc3ca5-18
0.378
RAL-THA-6b94ceba-2
0.377
MAT-POS-044491d2-5
0.376
NAU-LAT-81109c57-7
0.376
DAR-DIA-0cde14eb-64
0.375
DAR-DIA-23e5a6a0-29
0.375
WIL-MOD-03b86a88-1
0.375
TRY-UNI-2eddb1ff-7
0.375
GAB-REV-4a4e2ff3-14
0.374
EDJ-MED-e58735b6-2
0.374
ALP-POS-95b75b4d-2
0.374
JAN-GHE-83b26c96-13
0.374
MAT-POS-044491d2-4
0.373
MAT-POS-044491d2-2
0.371
VLA-UCB-00f2c2b3-2
0.371
THO-SYG-cc9e9a11-1
0.371
GAB-REV-70cc3ca5-9
0.371
DAR-DIA-0cde14eb-62
0.371
ALE-HEI-f28a35b5-3
0.371
GAB-REV-70cc3ca5-21
0.371
MIH-UNI-6b9ca91a-1
0.371
JAN-GHE-83b26c96-12
0.370
MAT-POS-044491d2-7
0.369
WIL-MOD-03b86a88-4
0.369
BEN-DND-93268d01-6
0.368
MAT-POS-173a45da-2
0.368
MAT-POS-044491d2-6
0.368
DAR-DIA-0cde14eb-17
0.368
DAR-DIA-23e5a6a0-25
0.368
DAR-DIA-23e5a6a0-23
0.368
DAR-DIA-0cde14eb-3
0.367