Molecular Properties | |
SMILES: | O=C1CC(C(=O)NC2CNCc3ccc(Cl)cc32)c2ccccc21 |
MW: | 340.1 |
Fraction sp3: | 0.26 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 58.2 |
cLogP: | 2.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketone
NAU-LAT-64bf4c5d-2
NAU-LAT-28398581-5
0.575
NAU-LAT-64bf4c5d-3
0.553
DAR-DIA-6a49afbe-11
0.438
NAU-LAT-28398581-7
0.413
NAU-LAT-64bf4c5d-1
0.400
ALP-POS-8b8a49e1-2
0.400
NAU-LAT-64bf4c5d-4
0.383
DAV-ILL-89eb723b-1
0.374
RUB-POS-1325a9ea-6
0.374
NAU-LAT-28398581-3
0.337
MAT-POS-d8472c4f-5
0.333
BEN-DND-f2e727cd-5
0.333
MAT-POS-3ccb8ef6-1
0.333
MAT-POS-3ccb8ef6-2
0.333
ALP-POS-8b8a49e1-6
0.330
RUB-POS-1325a9ea-16
0.330
ALP-POS-8b8a49e1-1
0.296
MIC-UNK-42806bd5-3
0.296
MIC-UNK-fc94cdb5-2
0.296
DAR-DIA-6a508060-7
0.291
MIC-UNK-42806bd5-4
0.289
NAU-LAT-28398581-6
0.288
NAU-LAT-64bf4c5d-5
0.283
ALP-POS-8b8a49e1-3
0.278
ALP-POS-8b8a49e1-4
0.275
MIC-UNK-4c7b8ba7-2
0.275
IND-SYN-6c8299e8-10
0.270
ROB-UNI-daaf9793-4
0.268
RAL-THA-5ed3c24e-1
0.262
JAG-UCB-52b62a6f-6
0.262
IND-SYN-6c8299e8-6
0.261
ADA-UCB-6c2cb422-2
0.257
NAU-LAT-64bf4c5d-2
0.257
NAU-LAT-28398581-2
0.255
PET-UNK-c0891748-6
0.255
PET-UNK-c0891748-12
0.255
DAR-DIA-70d163b2-3
0.252
MAR-UCB-6ab2ec87-1
0.252
NAU-LAT-64bf4c5d-6
0.250
EDG-MED-fe7487f8-10
0.250
NAU-LAT-28398581-8
0.250
MAK-UNK-83e0a0b4-3
0.248
EDJ-MED-12c4873b-7
0.248
RAL-THA-952697e1-1
0.248
RAL-THA-952697e1-2
0.248
NAU-LAT-b7d8c353-2
0.248
EDJ-MED-036ae2e9-1
0.248
MIC-UNK-91acba05-4
0.248
EDJ-MED-827e7cb4-7
0.248
ALP-POS-477dc5b7-1
0.248
NAU-LAT-8502cac5-11
0.248
RUB-POS-1325a9ea-21
0.248
RUB-POS-1325a9ea-7
0.248
MAT-POS-777f5926-2
0.246
EDJ-MED-12c4873b-5
0.246
RAL-THA-952697e1-3
0.246
RAL-THA-952697e1-4
0.246
EDJ-MED-2791eece-12
0.246
EDJ-MED-dd2a8363-4
0.246
JAG-UCB-52b62a6f-17
0.245
ROB-UNI-322e8f70-3
0.245
JOH-UNI-f51e3bbc-1
0.245
MIC-UNK-45817b9b-1
0.245
EDJ-MED-a6bd50ad-1
0.245
MAT-POS-43c25e9b-1
0.245
MIC-UNK-91acba05-1
0.245
MAT-POS-22e8b45a-1
0.245
MAT-POS-43c25e9b-2
0.245
EDJ-MED-ba7e64f2-2
0.245
MAT-POS-865c3497-1
0.245
MAT-POS-865c3497-2
0.245
MAT-POS-f39f51fd-1
0.245
JAN-GHE-299e5c7e-3
0.245
DAR-DIA-5ff57136-9
0.244
MAT-POS-9db1e783-3
0.244
DAR-DIA-4987d2cd-2
0.244
MAT-POS-4223bc15-15
0.244
EDJ-MED-eb111c00-3
0.243
ALF-EVA-a24cc7ce-6
0.243
PET-UNK-1b92fa34-1
0.243
ADA-UCB-b1b30a00-6
0.243
JAN-GHE-f4ca5a00-23
0.243
VLA-UNK-0ffe3317-2
0.243
ALP-POS-64a6e87e-1
0.243
MIC-UNK-13557a72-2
0.243
MAK-UNK-919546f0-6
0.242
MAT-POS-090737b9-1
0.241
VLA-UCB-05e51b3f-10
0.241
VLA-UCB-50c39ae8-7
0.241
EDJ-MED-dd2a8363-1
0.241
ALP-POS-bea7b391-1
0.241
BEN-DND-a02b439d-9
0.241
EDG-MED-9fc99cca-2
0.240
ALF-EVA-0e90125c-3
0.240
ALF-EVA-07677224-10
0.240
PET-UNK-158bee2a-6
0.240
PET-UNK-158bee2a-8
0.240
DAR-DIA-b4e9dd8d-5
0.240
DAR-DIA-4987d2cd-1
0.240
MAT-POS-4223bc15-32
0.240