Molecular Properties | |
SMILES: | O=C(CNC(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1)N1CCOCC1 |
MW: | 409.874 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 94.22 |
cLogP: | 1.0579 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
WIL-LEE-23e8b574-8
0.415
MAR-TRE-f5c2d31c-11
0.371
MAR-TRE-f5c2d31c-36
0.367
GIA-UNK-3f36037a-2
0.359
AHN-SAT-de2502ba-7
0.351
TAM-UNI-d1c3dd9f-12
0.348
MAR-TRE-a9136c7b-76
0.348
STU-CHA-6cae54d3-1
0.347
SAD-SAT-135344c3-8
0.344
MED-COV-4280ac29-6
0.338
WIL-LEE-1f71e281-4
0.333
JOR-UNI-2fc98d0b-1
0.327
GIA-UNK-7337c2f3-2
0.326
DAR-DIA-3e9bbd81-12
0.326
MIC-UNK-66895286-2
0.325
MED-COV-4280ac29-18
0.322
PAT-GYR-359dbb24-2
0.321
MAR-TRE-799db12b-14
0.316
RIT-AID-d1f3f5d2-1
0.314
PAT-GYR-359dbb24-1
0.313
AAR-POS-d2a4d1df-21
0.313
GIA-UNK-3f36037a-6
0.313
JOH-UNI-c7afdb96-5
0.310
BAR-COM-4e090d3a-66
0.310
AAR-UNI-c25c2f1e-46
0.310
MAR-TRE-8190bb11-7
0.308
TRY-UNI-714a760b-9
0.307
JAG-UCB-ef2c0e8e-10
0.306
PAT-GYR-de8eec61-4
0.303
PAT-GYR-de8eec61-6
0.303
PAT-GYR-de8eec61-5
0.302
BEN-DND-61647d40-14
0.301
MED-COV-4280ac29-7
0.300
SAD-SAT-65574d3f-9
0.300
TRY-UNI-9f475305-11
0.300
JAG-UCB-252a2f58-1
0.299
PAT-GYR-359dbb24-4
0.299
AAR-POS-0daf6b7e-29
0.299
JOH-IMS-1436231f-6
0.299
AAR-POS-0daf6b7e-44
0.299
ABB-MCD-f549d731-1
0.297
ROB-UNI-b2e39629-11
0.297
MAR-TRE-2fd8122f-88
0.296
BEN-DND-61647d40-19
0.295
TAM-UNI-d1c3dd9f-21
0.295
PAT-GYR-de8eec61-1
0.295
MAK-UNK-f983951f-21
0.294
TAM-UNI-d1c3dd9f-1
0.294
MAR-TRE-c317dd82-45
0.294
JOR-UNI-2fc98d0b-6
0.294
DAR-DIA-fb20be43-16
0.294
BEN-DND-61647d40-12
0.293
MAT-POS-3b92565d-14
0.293
MAT-POS-bfb445d4-1
0.293
BEN-DND-02317c5c-12
0.293
AAR-POS-d2a4d1df-35
0.293
JOH-UNI-0e1753c1-3
0.293
DAR-DIA-23aa0b97-14
0.293
ALE-HEI-f28a35b5-16
0.293
JAN-GHE-83b26c96-19
0.293
HYO-UNK-49a60884-1
0.293
WAR-XCH-eb7b662f-7
0.293
JOR-UNI-2fc98d0b-7
0.293
MED-COV-4280ac29-15
0.293
AHN-SAT-de2502ba-4
0.292
MAR-TRE-6a44bbf2-100
0.292
MIC-UNK-66895286-4
0.292
PET-UNK-8922bd3c-1
0.290
JAN-LUN-3e0f9c09-1
0.290
JAN-LUN-8953ce76-6
0.290
SEA-TRI-8222e606-1
0.290
JAG-UCB-cedd89ab-6
0.290
DAR-DIA-3e9bbd81-15
0.290
MAK-UNK-10799360-12
0.290
PAT-GYR-359dbb24-3
0.289
PAT-GYR-de8eec61-7
0.289
MAK-UNK-10799360-19
0.288
TRY-UNI-714a760b-12
0.287
MIC-UNK-66895286-3
0.287
JAG-UCB-cedd89ab-8
0.287
WIL-LEE-1f71e281-1
0.287
PAU-WEI-3e86dfd8-2
0.287
PAT-GYR-359dbb24-5
0.286
MAR-TRE-a9136c7b-11
0.284
MAR-TRE-c317dd82-7
0.284
SEA-TRI-2c7f3de8-1
0.284
PAU-WEI-b9b69149-1
0.284
EDJ-MED-49816e9b-1
0.284
NAU-LAT-a5c7d7cb-6
0.283
BEN-DND-61647d40-11
0.283
JIN-POS-6dc588a4-1
0.283
BEN-DND-61647d40-13
0.283
SEA-TRI-6388eba6-1
0.283
BEN-DND-02317c5c-11
0.283
DAR-DIA-23aa0b97-13
0.282
DRA-CSI-47e38074-9
0.281
MED-COV-4280ac29-11
0.281
MAK-UNK-6ca90168-15
0.280
SAD-SAT-f25ee457-3
0.280
SAD-SAT-b55127ae-1
0.279