Molecular Properties | |
SMILES: | O=C(O)CCCc1cncc(NC(=O)Nc2cccc(Cl)c2)c1 |
MW: | 333.775 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 91.32 |
cLogP: | 3.7863 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAN-LUN-3e0f9c09-1
1.000
JAN-LUN-8953ce76-7
0.716
JAN-LUN-8953ce76-1
0.716
JAN-LUN-3e0f9c09-4
0.716
JAN-LUN-8953ce76-4
0.589
JAN-LUN-3e0f9c09-2
0.589
DAR-DIA-23aa0b97-13
0.544
JOR-UNI-2fc98d0b-7
0.522
WAR-XCH-eb7b662f-7
0.522
JAN-GHE-83b26c96-19
0.522
DAR-DIA-23aa0b97-14
0.522
ABB-MCD-f549d731-1
0.474
JAN-LUN-04aedcc0-1
0.434
TRY-UNI-714a760b-9
0.423
JAG-UCB-cedd89ab-8
0.421
TRY-UNI-714a760b-12
0.421
JAN-LUN-04aedcc0-7
0.410
JAG-UCB-cedd89ab-7
0.402
JAN-LUN-04aedcc0-2
0.402
JAN-LUN-3e0f9c09-3
0.398
JAG-UCB-cedd89ab-6
0.398
AAR-UNI-c25c2f1e-46
0.395
DAR-DIA-23aa0b97-15
0.384
MIC-UNK-66895286-2
0.377
BAR-COM-21d20d65-3
0.364
BAR-COM-21d20d65-4
0.356
SEA-TRI-5a552082-1
0.353
SID-ELM-2583a2cd-6
0.351
MIC-UNK-66895286-3
0.350
EDJ-MED-49816e9b-1
0.346
BAR-COM-21d20d65-8
0.341
WIL-UNI-5578df48-24
0.341
BAR-COM-21d20d65-9
0.341
BEN-DND-61647d40-20
0.338
BEN-DND-61647d40-15
0.337
WIL-UNI-5578df48-26
0.337
BAR-COM-21d20d65-5
0.337
DAR-DIA-03336633-3
0.337
BAR-COM-21d20d65-6
0.333
SEA-TRI-2dd971ce-1
0.333
BEN-DND-61647d40-16
0.333
WAR-XCH-eb7b662f-3
0.333
EDG-MED-0da5ad92-12
0.333
PET-UNK-8922bd3c-1
0.333
BAR-COM-21d20d65-2
0.330
TRY-UNI-9f475305-11
0.329
DAR-DIA-23aa0b97-8
0.329
EDG-MED-0da5ad92-2
0.329
WAR-XCH-6eb0722e-2
0.326
BAR-COM-21d20d65-1
0.326
BAR-COM-21d20d65-7
0.326
NIM-UNI-6eebfcd4-2
0.326
SEA-TRI-6388eba6-1
0.326
WIL-UNI-5578df48-28
0.326
BEN-DND-61647d40-19
0.325
WAR-XCH-eb7b662f-6
0.325
MAK-UNK-30aad1f1-3
0.322
MIC-UNK-66895286-4
0.321
SID-ELM-2583a2cd-5
0.320
DAR-DIA-23aa0b97-16
0.316
ALP-POS-f13221e1-4
0.314
JAG-UCB-252a2f58-1
0.313
WAR-XCH-eb7b662f-4
0.312
WIL-UNI-5578df48-21
0.312
JAN-GHE-d851b096-2
0.311
MAR-TRE-9d18ae8c-52
0.311
BEN-DND-61647d40-11
0.310
BEN-DND-02317c5c-11
0.310
JIN-POS-6dc588a4-1
0.310
BEN-DND-61647d40-13
0.310
ANN-UNI-26382800-4
0.309
WAR-XCH-eb7b662f-5
0.309
WAR-XCH-eb7b662f-1
0.309
DAR-DIA-23aa0b97-5
0.309
JOR-UNI-61e7b1d5-2
0.309
SAD-SAT-135344c3-7
0.309
WAR-XCH-6eb0722e-4
0.309
SID-ELM-2583a2cd-7
0.308
MAT-POS-bfb445d4-1
0.307
BEN-DND-61647d40-12
0.307
BAR-COM-4e090d3a-11
0.307
BEN-DND-02317c5c-12
0.307
MAT-POS-3b92565d-14
0.307
MIC-UNK-66895286-5
0.307
JOH-UNI-abfda500-4
0.306
WIL-UNI-5578df48-30
0.305
JAG-UCB-ef2c0e8e-10
0.305
CHR-SOS-7098f804-12
0.304
JAN-GHE-5a013bed-9
0.304
MAR-TRE-f5c2d31c-11
0.303
WIL-UNI-5578df48-19
0.302
MAR-TRE-04c86cea-65
0.302
MAR-TRE-9d18ae8c-89
0.301
MAR-TRE-f5c2d31c-36
0.300
ALP-POS-f13221e1-3
0.300
WIL-UNI-5578df48-25
0.298
WIL-UNI-5578df48-27
0.298
WIL-UNI-5578df48-22
0.298
WAR-XCH-eb7b662f-2
0.298
ADA-UNI-f8e79267-11
0.297