Molecular Properties | |
SMILES: | O=C(CCl)N1c2ccccc2N(C(=O)CCl)c2ccccc21 |
MW: | 334.03 |
Fraction sp3: | 0.12 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 40.62 |
cLogP: | 3.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
SAD-SAT-1b030f84-9
SAD-SAT-5b1897b2-10
0.375
SIM-SYN-f15aaa3a-1
0.354
CHR-GRO-516f90f3-1
0.339
AAR-POS-d2a4d1df-28
0.333
GIA-UNK-c4371e97-2
0.321
SAD-SAT-89668ff1-1
0.317
MAR-TRE-6a44bbf2-75
0.316
MAK-UNK-7c9d1431-24
0.312
MAK-UNK-987948f6-2
0.312
DRR-IMP-38dce17f-3
0.312
GIA-UNK-7337c2f3-10
0.310
MAK-UNK-6ca90168-11
0.308
MAK-UNK-3f402c2b-6
0.305
MAK-UNK-df1a028e-9
0.304
ASH-UNK-e28bb067-8
0.302
MAK-UNK-4b073b5c-21
0.300
GIA-UNK-7337c2f3-1
0.298
AAR-POS-0daf6b7e-5
0.296
MAR-TRE-6a44bbf2-92
0.296
MAK-UNK-6ca90168-4
0.296
SAD-SAT-1b030f84-9
0.294
MAK-UNK-95198336-3
0.294
GIA-UNK-7337c2f3-4
0.293
GIA-UNK-7337c2f3-7
0.293
SAD-SAT-6b5a89f0-8
0.293
GIA-UNK-20b63697-7
0.291
MAR-TRE-6a44bbf2-21
0.288
AHN-SAT-de2502ba-7
0.288
MAK-UNK-6ca90168-10
0.288
SAD-SAT-5b1897b2-3
0.288
MAK-UNK-7c9d1431-9
0.288
GIA-UNK-4de5abb1-1
0.288
GIA-UNK-7337c2f3-6
0.288
GIA-UNK-7337c2f3-3
0.288
MAK-UNK-95198336-7
0.286
MAK-UNK-3d7e3904-2
0.286
MAK-UNK-95198336-6
0.286
GIA-UNK-7337c2f3-11
0.286
MAK-UNK-95198336-4
0.286
DUN-NEW-f8ce3686-3
0.286
MAK-UNK-4b073b5c-14
0.286
DAR-DIA-3e9bbd81-12
0.283
GIA-UNK-7337c2f3-2
0.283
DRR-IMP-38dce17f-5
0.283
DRR-IMP-db50bf6e-2
0.281
MAK-UNK-af83ef51-2
0.281
SAD-SAT-d8079f6f-8
0.279
GIA-UNK-7337c2f3-5
0.279
GIA-UNK-7337c2f3-8
0.279
GIA-UNK-7337c2f3-9
0.279
GIA-UNK-7337c2f3-12
0.279
MAK-UNK-95198336-5
0.278
GIA-UNK-20b63697-1
0.276
MAK-UNK-704ed37c-11
0.275
MAR-TRE-6a44bbf2-61
0.275
AAR-POS-d2a4d1df-29
0.275
SAD-SAT-3a925b8b-5
0.275
SAD-SAT-65574d3f-1
0.273
AHN-SAT-de2502ba-14
0.273
AAR-POS-d2a4d1df-24
0.273
MAR-TRE-6a44bbf2-28
0.273
MAK-UNK-7c9d1431-12
0.273
MAK-UNK-7c9d1431-20
0.273
MAK-UNK-7c9d1431-23
0.273
MED-COV-4280ac29-6
0.273
SWA-SYN-6423ea73-1
0.273
SWA-SYN-d2e6fa14-1
0.273
DUN-NEW-f8ce3686-22
0.271
SEL-UNI-cd366922-5
0.271
MAK-UNK-4b073b5c-16
0.270
MAK-UNK-95198336-8
0.270
GIA-UNK-c4371e97-1
0.270
AAR-POS-0daf6b7e-16
0.269
JOH-UNI-27ac80fd-25
0.269
MIH-UNI-e573136b-8
0.269
MAK-UNK-4b073b5c-15
0.268
SAD-SAT-6b5a89f0-2
0.268
LON-WEI-120e5cf5-15
0.268
MAR-TRE-6a44bbf2-86
0.268
MAK-UNK-6ca90168-9
0.268
MAK-UNK-15efde89-1
0.268
MAK-UNK-3f402c2b-18
0.267
GIA-UNK-20b63697-6
0.267
SAD-SAT-d8079f6f-7
0.267
GIA-UNK-7337c2f3-14
0.265
SAD-SAT-65574d3f-9
0.264
DRR-IMP-dff87f5e-4
0.264
DRR-IMP-38dce17f-1
0.264
AAR-POS-d2a4d1df-34
0.263
LON-WEI-120e5cf5-5
0.263
MAR-TRE-6a44bbf2-8
0.263
DRR-IMP-dff87f5e-5
0.263
MAK-UNK-7c9d1431-27
0.263
MAK-UNK-af83ef51-1
0.262
SEL-UNI-cd366922-2
0.262
MED-COV-4280ac29-13
0.262
MAK-UNK-4b073b5c-20
0.262
MAK-UNK-4b073b5c-22
0.262
DAR-DIA-3e9bbd81-11
0.262
ROB-CAM-6936528f-1
0.262