Molecular Properties | |
SMILES: | NCc1ccc2c(NC(=O)[C@@H]3COc4ccc(Cl)cc43)cncc2c1 |
MW: | 353.09 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 77.24 |
cLogP: | 3.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-12c115cc-1
MAK-UNK-8be7dca9-5
0.762
ERI-UCB-b3e6b0c2-1
0.726
ERI-UCB-b3e6b0c2-14
0.696
MAT-POS-bbbbc21a-2
0.663
MAT-POS-f7918075-2
0.663
EDJ-MED-12c115cc-1
0.663
EDJ-MED-12c115cc-2
0.663
ERI-UCB-b3e6b0c2-15
0.645
ERI-UCB-b3e6b0c2-12
0.620
ALP-POS-82da25a3-1
0.615
ERI-UCB-b3e6b0c2-11
0.615
MAK-UNK-8be7dca9-2
0.613
ALF-EVA-5b152d2f-8
0.613
MAR-UCB-6ab2ec87-5
0.609
JAG-UCB-571deb56-5
0.583
JAG-UCB-571deb56-4
0.582
JAG-UCB-571deb56-2
0.577
ALF-EVA-a24cc7ce-1
0.567
ERI-UCB-b3e6b0c2-6
0.554
JAG-UCB-571deb56-1
0.554
JAG-UCB-571deb56-6
0.549
ERI-UCB-b3e6b0c2-7
0.545
JAG-UCB-571deb56-7
0.543
ERI-UCB-8d4e5055-1
0.538
MAK-UNK-8be7dca9-1
0.538
MAT-POS-7ddaf7de-3
0.538
ERI-UCB-8d4e5055-6
0.538
JAG-UCB-a3ef7265-3
0.534
JAG-UCB-571deb56-3
0.528
MAT-POS-7ddaf7de-1
0.528
MAK-UNK-8be7dca9-9
0.526
PET-UNK-03fd2068-1
0.526
MAT-POS-7ddaf7de-2
0.526
ERI-UCB-8d4e5055-3
0.526
PET-UNK-6314f867-1
0.510
ALF-EVA-5b152d2f-5
0.505
MAT-POS-1ecf5680-1
0.505
TET-ENA-382364b7-1
0.500
VLA-UCB-1dbca3b4-15
0.495
MAT-POS-b3e365b9-1
0.495
MAT-POS-b3e365b9-2
0.495
MAT-POS-f7918075-1
0.495
BEN-DND-4f474d93-3
0.495
BEN-DND-4f474d93-1
0.495
ALP-POS-ce760d3f-2
0.495
MAT-POS-1ecf5680-2
0.490
WIL-UCB-7ba4ac3a-1
0.490
ALP-POS-82da25a3-2
0.485
ALF-EVA-ced740bd-4
0.484
MAT-POS-a2421bb6-3
0.480
ALF-EVA-5b152d2f-1
0.480
ALF-EVA-a24cc7ce-4
0.479
MAK-UNK-8be7dca9-8
0.475
ALF-EVA-ced740bd-3
0.473
MAT-POS-2e8b2191-2
0.469
ADA-UCB-dc2b944c-16
0.469
ALF-EVA-a24cc7ce-8
0.469
JAG-UCB-c61058a9-27
0.467
RUB-POS-1325a9ea-10
0.465
ALF-EVA-5b152d2f-3
0.464
PET-UNK-ee8352fa-5
0.461
PET-UNK-ee8352fa-6
0.461
NAU-LAT-b7d8c353-8
0.461
MAK-UNK-8be7dca9-6
0.461
RAL-THA-b9d6aec1-3
0.461
ALP-POS-ce760d3f-7
0.459
EDG-MED-5d232de5-1
0.459
ALP-POS-696356e4-1
0.459
EDG-MED-5d232de5-2
0.459
BEN-DND-4f474d93-2
0.459
ALP-POS-ce760d3f-3
0.459
BEN-DND-c852c98b-4
0.459
EDJ-MED-ba7e64f2-1
0.459
PET-UNK-b38839dc-5
0.456
PET-UNK-f4e47ebd-4
0.456
MAK-UNK-8be7dca9-3
0.455
ERI-UCB-8d4e5055-4
0.455
BEN-DND-c852c98b-5
0.455
PET-UNK-c0891748-4
0.455
PET-UNK-c0891748-10
0.455
ERI-UCB-b3e6b0c2-13
0.455
MAT-POS-2e8b2191-3
0.455
PET-UNK-b38839dc-4
0.452
ALF-EVA-ced740bd-1
0.451
ALF-EVA-5b152d2f-2
0.450
PET-UNK-b1ef24dc-7
0.449
PET-UNK-b1ef24dc-8
0.449
MIC-UNK-7574fcc6-2
0.449
MAK-UNK-8be7dca9-7
0.446
MAT-POS-ee5e8e94-1
0.442
MAT-POS-8040981b-1
0.441
BEN-DND-c852c98b-3
0.441
MAT-POS-f9802937-7
0.441
MAT-POS-8293a91a-3
0.441
PET-UNK-ee8352fa-4
0.441
BEN-DND-a7517465-5
0.440
PET-UNK-c0891748-6
0.440
PET-UNK-e274cad4-7
0.440
PET-UNK-c0891748-12
0.440
BEN-DND-f06bfa8e-5
0.439