Molecular Properties | |
SMILES: | O=C(CCl)N1Cc2cc3c(cc2C1)OCO3 |
MW: | 239.03 |
Fraction sp3: | 0.36 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 38.77 |
cLogP: | 1.5 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-31
JOH-UNI-e19b918c-12
0.627
JOH-UNI-e19b918c-5
0.553
JOH-UNI-e19b918c-13
0.439
MAK-UNK-7c9d1431-14
0.403
MAR-TRE-6a44bbf2-60
0.356
JOH-UNI-e19b918c-14
0.333
MAK-UNK-95198336-7
0.326
AAR-POS-d2a4d1df-31
0.323
NEH-REV-107bcf72-3
0.319
SAD-SAT-6b5a89f0-2
0.306
SAD-SAT-1b030f84-9
0.302
MAK-UNK-95198336-3
0.302
NAM-UNK-f7c77a48-3
0.302
MAR-TRE-6a44bbf2-54
0.299
MAK-UNK-7c9d1431-16
0.299
MAK-UNK-704ed37c-16
0.296
MAK-UNK-95198336-4
0.295
MAK-UNK-95198336-6
0.295
SAD-SAT-edc8a235-10
0.294
MAK-UNK-7c9d1431-24
0.293
DRR-IMP-38dce17f-3
0.293
SAD-SAT-6b5a89f0-3
0.291
NIM-UNI-310206f0-6
0.286
MAK-UNK-f983951f-21
0.286
PAU-UNI-8cdd41c7-1
0.283
MAK-UNK-4b073b5c-16
0.283
MAK-UNK-7c9d1431-18
0.282
AAR-POS-0daf6b7e-43
0.281
JOH-IMS-7e73aedd-9
0.281
JOH-IMS-0f19a540-3
0.281
JOH-UNI-e19b918c-1
0.280
SAD-SAT-2ceae68f-8
0.279
AAR-POS-0daf6b7e-14
0.279
TOB-UNK-c2aba166-1
0.278
MAK-UNK-7c9d1431-1
0.278
MAR-TRE-aca67d11-9
0.278
MAR-TRE-6a44bbf2-38
0.278
DRR-IMP-38dce17f-1
0.274
DAV-UNK-07f953a2-3
0.272
MAK-UNK-95198336-11
0.271
SAD-SAT-d8079f6f-3
0.271
SAD-SAT-d8079f6f-5
0.271
NIR-THE-c331be7a-4
0.270
MIH-UNI-e573136b-9
0.270
DAR-DIA-caba39e3-1
0.270
MAK-UNK-7c9d1431-2
0.270
MAR-TRE-6a44bbf2-36
0.270
SAD-SAT-bc31ec01-1
0.270
AAR-POS-0daf6b7e-17
0.270
LON-WEI-8f408cad-5
0.270
MAK-UNK-4b073b5c-14
0.269
SAD-SAT-6b5a89f0-5
0.268
JOH-IMS-0f19a540-12
0.268
MAR-TRE-ebcc4ad6-24
0.267
MAN-UBA-9f922de6-1
0.267
JOH-UNI-0e1753c1-3
0.266
AAR-POS-d2a4d1df-35
0.266
MED-COV-4280ac29-15
0.266
HYO-UNK-49a60884-1
0.266
SAD-SAT-d8079f6f-6
0.265
AAR-POS-0daf6b7e-21
0.265
JOK-SYG-18591e8f-1
0.265
MAK-UNK-6ca90168-18
0.264
MAK-UNK-6c8f5f75-1
0.264
MAR-TRE-8a25d817-17
0.264
EDJ-MED-c292668a-1
0.264
JOH-UNI-e19b918c-2
0.263
SAD-SAT-3a925b8b-4
0.262
SAD-SAT-3a925b8b-5
0.262
AAR-POS-d2a4d1df-29
0.262
MAR-TRE-6a44bbf2-61
0.262
SAD-SAT-581007d4-7
0.262
JOH-UNI-e19b918c-8
0.262
SAD-SAT-581007d4-1
0.262
AAR-POS-d2a4d1df-24
0.262
SAD-SAT-581007d4-2
0.262
MAK-UNK-7c9d1431-23
0.262
MAR-TRE-6a44bbf2-28
0.262
MAT-POS-2db6411e-2
0.262
MAK-UNK-95198336-5
0.261
ALE-SYG-bac15da4-2
0.260
CHR-UNL-7577488f-1
0.260
MAK-UNK-704ed37c-11
0.260
SAD-SAT-bc31ec01-2
0.260
MIH-UNI-e573136b-8
0.260
SAD-SAT-5b1897b2-9
0.259
SAD-SAT-1b030f84-5
0.258
JOH-UNI-e19b918c-4
0.258
KAI-MCD-cb49037b-1
0.258
DRR-IMP-38dce17f-2
0.258
NEH-REV-107bcf72-5
0.258
MED-COV-4280ac29-33
0.257
MIH-UNI-e573136b-10
0.257
TAM-UNI-d1c3dd9f-5
0.256
TAM-UNI-d1c3dd9f-13
0.256
MAK-UNK-95198336-8
0.255
MAK-UNK-4b073b5c-17
0.255
MAK-UNK-4b073b5c-21
0.255
SAD-SAT-d8079f6f-4
0.255
AHN-SAT-de2502ba-7
0.254