Molecular Properties | |
SMILES: | CON=C1CC(Oc2cccc(NC(=O)Cc3cccnc3)c2)C1 |
MW: | 325.14 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 72.81 |
cLogP: | 2.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
imine
Oxygen-nitrogen single bond
Singel acyclic N-O bonds
Filter89_hydroxylamine
acyclic NO not nitro
Oxime
Nitrosone_not_nitro
ANT-OPE-6e66bf84-1
0.803
RAL-MED-2de63afb-1
0.653
BAR-COM-4e090d3a-39
0.494
DAR-DIA-23aa0b97-4
0.487
RAL-MED-2de63afb-6
0.458
DAR-DIA-23aa0b97-6
0.415
RAL-MED-2de63afb-11
0.407
ERI-UCB-ce40166b-1
0.384
ERI-UCB-ce40166b-2
0.382
DAR-DIA-23aa0b97-16
0.370
EDG-MED-0da5ad92-2
0.366
RAL-MED-2de63afb-8
0.359
RAL-MED-2de63afb-16
0.359
CHA-MCP-85291e1d-3
0.359
RAL-MED-2de63afb-15
0.359
CHA-MCP-85291e1d-6
0.356
RAL-MED-2de63afb-7
0.356
RAL-THA-901e9a10-7
0.354
BRU-LEF-c49414a7-1
0.354
ADA-UCB-b1b30a00-3
0.351
BEN-DND-61647d40-17
0.349
RAL-MED-2de63afb-4
0.348
RAL-MED-2de63afb-3
0.348
RAL-MED-2de63afb-13
0.344
SAN-PRS-52b81272-2
0.342
RAL-MED-2de63afb-9
0.341
RAL-MED-2de63afb-2
0.340
ERI-UCB-ce40166b-4
0.340
SAD-SAT-24589cd1-4
0.338
NAU-LAT-64f4b287-9
0.338
BEN-DND-61647d40-18
0.337
BEN-DND-61647d40-8
0.333
DAR-DIA-842b4336-11
0.333
BAR-COM-4e090d3a-53
0.333
ANN-UNI-26382800-5
0.330
RAL-MED-2de63afb-10
0.330
ANT-DIA-3c79be55-2
0.329
MAK-UNK-a7b37c5e-5
0.329
MAR-TRE-3e4e6814-79
0.327
CHA-MCP-85291e1d-1
0.326
SAD-SAT-24589cd1-2
0.326
GAB-REV-70cc3ca5-13
0.326
RAL-MED-2de63afb-12
0.326
CHA-MCP-85291e1d-2
0.326
BEN-DND-61647d40-7
0.322
MAK-UNK-c749d764-14
0.322
MAK-UNK-c749d764-13
0.322
CHA-MCP-85291e1d-5
0.322
MAK-UNK-c749d764-17
0.321
DAR-DIA-23aa0b97-3
0.319
MAK-UNK-a7b37c5e-4
0.317
BAR-COM-4e090d3a-15
0.317
RAL-MED-2de63afb-14
0.316
ALP-POS-95b75b4d-10
0.316
MAR-TRE-74c6519b-88
0.315
DAR-DIA-23aa0b97-17
0.315
BAR-COM-4e090d3a-11
0.312
MAR-TRE-3e4e6814-50
0.311
MAR-TRE-7f7bb9f0-90
0.311
MAK-UNK-c749d764-27
0.310
DAR-DIA-842b4336-10
0.310
MAR-TRE-2fd8122f-39
0.309
TRY-UNI-bbd40bb4-1
0.309
BAR-COM-4e090d3a-35
0.308
MAR-TRE-2fd8122f-87
0.308
SIM-SYN-a98e6a07-3
0.308
EDJ-MED-e58735b6-1
0.308
RAL-THA-901e9a10-1
0.307
BAR-COM-21d20d65-2
0.306
MAR-TRE-f5c2d31c-97
0.304
RAL-THA-901e9a10-5
0.304
TRY-UNI-69298daf-5
0.304
EDJ-MED-49816e9b-1
0.303
MAR-TRE-2fd8122f-57
0.303
DAR-DIA-23aa0b97-18
0.303
WIL-UNI-5578df48-25
0.303
MAR-TRE-74c6519b-19
0.303
JOH-IMS-62aeb97d-5
0.303
ALE-HEI-f28a35b5-5
0.302
MAR-TRE-3e4e6814-62
0.301
WIL-UNI-5578df48-28
0.301
WIL-MOD-03b86a88-1
0.301
NIM-UNI-b87c0f72-1
0.301
NIM-UNI-b87c0f72-2
0.301
TRY-UNI-2eddb1ff-7
0.301
CHR-SOS-59746812-2
0.300
MAR-TRE-3e4e6814-8
0.300
MAR-TRE-2fd8122f-30
0.300
BAR-COM-21d20d65-5
0.299
MIC-UNK-66895286-2
0.299
MED-UNK-e6e8ef8a-3
0.299
TRY-UNI-bbd40bb4-2
0.298
MAR-TRE-3159af1a-47
0.298
ALP-POS-95b75b4d-5
0.298
MAT-POS-bb423b95-4
0.298
WIL-UNI-5578df48-26
0.298
BEN-DND-b89db3f2-3
0.297
WIL-UNI-5578df48-30
0.297
CHR-SOS-59746812-6
0.297
ALE-HEI-f28a35b5-14
0.296