Molecular Properties | |
SMILES: | NCc1cccc2c(NC(=O)C3CCOc4ccc(Cl)cc43)cncc12 |
MW: | 367.11 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 77.24 |
cLogP: | 3.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
MAK-UNK-8be7dca9-6
1.000
ADA-UCB-dc2b944c-8
0.724
VLA-UCB-1dbca3b4-15
0.633
MAT-POS-b3e365b9-1
0.633
MAT-POS-b3e365b9-2
0.633
MAT-POS-f7918075-1
0.633
MAT-POS-a2421bb6-3
0.628
MAK-UNK-8be7dca9-5
0.628
BEN-DND-4f474d93-3
0.615
ALP-POS-ce760d3f-2
0.615
BEN-DND-4f474d93-1
0.615
MAK-UNK-8be7dca9-2
0.615
ALP-POS-ce760d3f-3
0.609
BEN-DND-4f474d93-2
0.609
MAT-POS-8040981b-1
0.600
PET-UNK-b1ef24dc-7
0.598
PET-UNK-b1ef24dc-8
0.598
PET-UNK-03fd2068-1
0.596
PET-UNK-b38839dc-3
0.591
ADA-UCB-dc2b944c-12
0.591
EDG-MED-5d232de5-2
0.591
JOH-SUS-a69c159d-1
0.591
BEN-DND-c852c98b-4
0.591
ALP-POS-696356e4-1
0.591
ALP-POS-ce760d3f-7
0.591
EDJ-MED-ba7e64f2-1
0.591
EDG-MED-5d232de5-1
0.591
WIL-UCB-7ba4ac3a-1
0.589
MAK-UNK-8be7dca9-8
0.588
RAL-THA-b9d6aec1-3
0.588
PET-UNK-7f7e354d-1
0.585
MAT-POS-14f31916-5
0.585
ALP-POS-82da25a3-2
0.583
MAT-POS-14f31916-2
0.583
MAT-POS-acfe5bae-5
0.583
ALP-POS-82da25a3-1
0.583
LON-WEI-0a73fcb8-7
0.582
ALF-EVA-5b152d2f-8
0.582
MAT-POS-ee5e8e94-1
0.582
ALF-EVA-5b152d2f-2
0.579
MAK-UNK-8be7dca9-9
0.579
JOH-SUS-a69c159d-3
0.579
JOH-SUS-a69c159d-4
0.579
BEN-DND-c852c98b-1
0.577
PET-UNK-6314f867-1
0.577
JOH-SUS-a69c159d-2
0.574
MAK-UNK-8be7dca9-7
0.573
MAT-POS-d8472c4f-6
0.573
MAT-POS-14f31916-1
0.573
PET-UNK-ee8352fa-6
0.571
MAT-POS-7ddaf7de-4
0.571
ALF-EVA-5b152d2f-5
0.571
MAT-POS-afb6844f-1
0.571
ADA-UCB-dc2b944c-11
0.568
BEN-DND-a7517465-5
0.568
BEN-DND-a7517465-3
0.568
BEN-DND-a7517465-2
0.568
PET-UNK-ee8352fa-4
0.567
MAT-POS-8293a91a-3
0.567
BEN-DND-c852c98b-3
0.567
MAT-POS-f9802937-7
0.567
ERI-UCB-8d4e5055-4
0.567
BEN-DND-c852c98b-5
0.567
MAT-POS-14f31916-3
0.566
MAT-POS-afb6844f-3
0.564
MIC-UNK-7574fcc6-2
0.564
RAL-THA-b00e3cbf-1
0.562
MAT-POS-7ddaf7de-2
0.561
BEN-DND-c852c98b-7
0.561
RUB-POS-1325a9ea-10
0.561
ERI-UCB-8d4e5055-3
0.561
MAT-POS-afb6844f-2
0.559
BEN-DND-a7517465-1
0.557
MAT-POS-ee5e8e94-2
0.556
PET-UNK-ee8352fa-5
0.556
MAT-POS-acfe5bae-1
0.556
ALF-EVA-5b152d2f-7
0.556
MAT-POS-1ecf5680-1
0.554
JAG-UCB-571deb56-5
0.554
MIC-UNK-b904ca85-2
0.552
JOH-UNI-f51e3bbc-2
0.551
TET-ENA-1a76f195-1
0.550
PET-UNK-b38839dc-5
0.550
BEN-DND-c852c98b-6
0.550
TET-ENA-382364b7-1
0.550
PET-UNK-f4e47ebd-3
0.550
PET-UNK-f4e47ebd-4
0.550
JAG-UCB-571deb56-2
0.549
NAU-LAT-b7d8c353-1
0.548
MAT-POS-a2421bb6-1
0.547
MAT-POS-afb6844f-4
0.547
JOH-UNI-1b27fa5e-1
0.546
ALF-EVA-ced740bd-1
0.545
RAL-THA-b9d6aec1-2
0.545
PET-UNK-b38839dc-4
0.545
BEN-DND-c852c98b-2
0.545
RAL-THA-b9d6aec1-1
0.545
MAT-POS-419aafdb-1
0.544
MAT-POS-b3e365b9-3
0.543
MAT-POS-b3e365b9-4
0.543