Molecular Properties | |
SMILES: | COc1ccc2c(c1)C1CC2C(c2ccccc2)N1C(=O)CCl |
MW: | 327.1 |
Fraction sp3: | 0.32 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 29.54 |
cLogP: | 4.05 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
NAU-LAT-64f4b287-4
0.395
MAK-UNK-3e0761f8-2
0.375
MAR-TRE-6a44bbf2-82
0.349
MAR-TRE-6a44bbf2-99
0.319
DAR-DIA-caba39e3-2
0.309
NIM-UNI-13494739-8
0.308
MAK-UNK-df1a028e-7
0.307
PEI-IMP-ca0b2813-3
0.292
MED-COV-4280ac29-30
0.292
MAR-TRE-6a44bbf2-45
0.289
MAK-UNK-7c9d1431-30
0.289
DAR-DIA-caba39e3-9
0.284
JOH-MR_-42fa5481-9
0.283
MAK-UNK-ec98eaf6-24
0.283
MAR-TRE-6a44bbf2-77
0.282
MAK-UNK-ec98eaf6-12
0.281
MAK-UNK-3e0761f8-8
0.281
MAK-UNK-3f402c2b-27
0.279
SAL-INS-1c7a5a55-1
0.277
DAR-DIA-caba39e3-3
0.276
MAR-TRE-6a44bbf2-92
0.274
DAR-DIA-fb20be43-7
0.274
GIA-UNK-20b63697-9
0.274
DUN-NEW-f8ce3686-22
0.273
AAR-POS-0daf6b7e-14
0.273
DAN-LON-a5fc619e-5
0.271
GIA-UNK-4de5abb1-2
0.271
TAT-ENA-80bfd3e5-17
0.270
NIM-UNI-13494739-7
0.270
MAK-UNK-7c9d1431-19
0.270
DAR-DIA-caba39e3-4
0.270
GIA-UNK-4de5abb1-5
0.269
MIH-UNI-e573136b-10
0.269
AAR-POS-0daf6b7e-18
0.268
NIM-UNI-13494739-5
0.268
MAK-UNK-7c9d1431-17
0.267
TAT-ENA-80bfd3e5-45
0.265
MAT-POS-fa06b69f-7
0.265
THO-SYG-4e0386bb-1
0.263
JOH-MR_-42fa5481-14
0.263
PEI-IMP-e4a008a2-1
0.261
DAR-DIA-caba39e3-10
0.261
GIA-UNK-20b63697-5
0.261
MIH-UNI-e573136b-15
0.260
MAT-POS-916a2c5a-1
0.260
SIM-SYN-f15aaa3a-1
0.259
AAR-POS-0daf6b7e-5
0.259
DAV-CRI-f4772df7-4
0.259
DAR-DIA-caba39e3-11
0.259
NIM-UNI-05f93fcc-15
0.258
UNK-UNK-2ede4078-58
0.257
DAV-CRI-f4772df7-6
0.256
MAK-UNK-3f402c2b-18
0.256
NIM-UNI-13494739-11
0.255
JOE-SYG-2c9a1216-1
0.255
TAT-ENA-80bfd3e5-5
0.255
PEI-IMP-668afc53-1
0.255
DAR-DIA-3e9bbd81-7
0.255
JOH-MR_-42fa5481-11
0.255
MAK-UNK-10799360-18
0.255
MAK-UNK-7c9d1431-9
0.253
MAR-TRE-6a44bbf2-21
0.253
LON-WEI-120e5cf5-5
0.253
MAK-UNK-5d2caa6f-20
0.253
DAR-DIA-3e9bbd81-11
0.253
MAK-UNK-987948f6-2
0.250
MAK-UNK-90d0606b-2
0.250
MAK-UNK-ec98eaf6-46
0.250
DAV-CRI-f4772df7-5
0.250
DAV-CRI-1c77f7a9-1
0.250
GIA-UNK-7337c2f3-5
0.250
GIA-UNK-7337c2f3-8
0.250
MAK-UNK-6ca90168-11
0.250
MAK-UNK-df1a028e-9
0.250
MAK-UNK-af83ef51-2
0.250
ANT-STE-dbb91f63-2
0.248
NIR-THE-c331be7a-2
0.247
MAK-UNK-3f402c2b-23
0.247
GIA-UNK-20b63697-4
0.247
STE-KUL-2e0d2e88-1
0.247
GIA-UNK-7337c2f3-1
0.247
DAV-CRI-f4772df7-1
0.246
DAV-CRI-f4772df7-2
0.246
DAV-CRI-1c77f7a9-4
0.245
MAK-UNK-ec98eaf6-26
0.245
DAV-CRI-1c77f7a9-3
0.245
MED-COV-4280ac29-27
0.245
DAV-IMP-59dd6621-3
0.245
TAT-ENA-80bfd3e5-30
0.244
GIA-UNK-7337c2f3-7
0.244
SEL-UNI-cd366922-5
0.244
LYN-UNI-7bb260d6-12
0.244
GIA-UNK-c4371e97-2
0.244
MAK-UNK-7c9d1431-23
0.244
MAR-TRE-6a44bbf2-28
0.244
ALP-POS-c0c213c9-1
0.244
DAV-CRI-b7083e67-1
0.243
SAL-INS-1c7a5a55-2
0.243
KEI-TRE-d5e2018a-93
0.243
TAT-ENA-80bfd3e5-16
0.243