Molecular Properties | |
SMILES: | N#Cc1c(F)c(Cl)cc2c1NCC[C@H]2C(=O)Nc1cncc2ccccc12 |
MW: | 380.08 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 77.81 |
cLogP: | 4.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UNK-8e76d113-2
0.779
ALP-POS-fe871b40-2
0.645
ALP-UNI-ba800595-1
0.626
MAT-POS-78e1d523-5
0.609
MAT-POS-f9802937-8
0.609
ALP-UNI-3735e77e-4
0.609
MAT-POS-f9802937-9
0.609
MAT-POS-78e1d523-6
0.609
ALP-POS-fe871b40-10
0.606
ALP-UNI-ba800595-2
0.606
DAR-DIA-0587064e-27
0.594
ALF-EVA-82cf4849-2
0.594
ALF-EVA-b701bd13-3
0.585
ALF-EVA-82cf4849-1
0.579
ALF-EVA-82cf4849-5
0.567
VLA-UNK-9a7dc93f-3
0.562
FRA-DIA-b66f7109-4
0.559
DAR-DIA-0587064e-14
0.559
DAR-DIA-0587064e-11
0.552
ALP-POS-477dc5b7-2
0.552
EDJ-MED-92e193ae-1
0.552
EDJ-MED-92e193ae-2
0.552
MIC-UNK-91acba05-5
0.552
DAR-DIA-0587064e-25
0.550
DAR-DIA-0587064e-16
0.548
ALP-POS-fe871b40-6
0.546
ROB-UNI-611831f5-2
0.546
ALF-EVA-b701bd13-5
0.546
DAR-DIA-0587064e-13
0.544
DAR-DIA-0587064e-23
0.542
DAR-DIA-0587064e-18
0.538
ALF-EVA-b701bd13-6
0.525
VLA-UNK-8e76d113-3
0.523
RAL-THA-05e671eb-15
0.520
RYA-UNI-6d7114fd-1
0.515
RAL-THA-05e671eb-2
0.515
ALP-POS-869ac754-1
0.515
VLA-UNK-9a7dc93f-4
0.515
ALF-EVA-b701bd13-4
0.510
MIC-UNK-8758c41d-1
0.510
ALP-POS-d91e0300-1
0.510
RAL-THA-05e671eb-10
0.510
MAT-POS-a13804f0-3
0.510
MAT-POS-a13804f0-2
0.510
ALP-POS-fe871b40-9
0.510
ALF-EVA-82cf4849-7
0.510
DAR-DIA-0587064e-21
0.509
RAL-THA-4aa06b95-1
0.505
ALP-UNI-3735e77e-3
0.500
BEN-DND-a02b439d-14
0.500
RAL-THA-05e671eb-11
0.500
ALP-POS-fe871b40-1
0.495
RAL-THA-05e671eb-20
0.495
RAL-THA-05e671eb-17
0.495
RAL-THA-05e671eb-7
0.495
DAR-DIA-6a508060-3
0.495
DAR-DIA-0f2f46c9-10
0.495
RAL-THA-05e671eb-24
0.495
ALP-POS-477dc5b7-1
0.495
MIC-UNK-91acba05-4
0.495
MIC-UNK-8758c41d-2
0.495
ALP-POS-869ac754-2
0.495
ALP-POS-fe871b40-15
0.490
DAR-DIA-0f2f46c9-5
0.490
DAR-DIA-0f2f46c9-6
0.490
DAR-DIA-0f2f46c9-4
0.490
ALP-POS-fe871b40-16
0.490
VLA-UNK-56836b69-1
0.490
MIC-UNK-8758c41d-3
0.490
DAR-DIA-0f2f46c9-8
0.486
BEN-DND-a02b439d-1
0.486
DAR-DIA-0f2f46c9-7
0.486
DAR-DIA-0f2f46c9-9
0.486
DAR-DIA-0f2f46c9-2
0.485
DAR-DIA-0f2f46c9-3
0.485
DAR-DIA-0f2f46c9-1
0.485
RAL-THA-8416115c-2
0.485
MIC-UNK-91acba05-6
0.485
DAR-DIA-0f2f46c9-12
0.485
EDG-MED-5d232de5-5
0.485
EDG-MED-5d232de5-6
0.485
FRA-DIA-0fa076fe-2
0.485
RAL-THA-05e671eb-21
0.485
RAL-THA-05e671eb-31
0.481
ALP-POS-fe871b40-13
0.481
RAL-THA-05e671eb-9
0.480
RAL-THA-05e671eb-25
0.480
PET-UNK-c0891748-8
0.480
EDJ-MED-12f7f543-1
0.480
ALP-POS-fe871b40-5
0.480
MAT-POS-78e1d523-1
0.480
RAL-THA-05e671eb-3
0.480
PET-UNK-c0891748-2
0.480
RAL-THA-05e671eb-13
0.480
ALP-POS-966f8da6-2
0.476
EDG-MED-5d232de5-3
0.476
EDG-MED-5d232de5-4
0.476
RAL-THA-c11c1343-1
0.476
ALP-UNI-3735e77e-2
0.475
MAT-POS-f39f51fd-1
0.475