Molecular Properties | |
SMILES: | CC(=O)c1cc2c(cc1NC(=O)CCl)OCO2 |
MW: | 255.03 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 64.63 |
cLogP: | 1.8 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9265857063 |
MolPort: | MolPort-004-270-167 |
Ketone
AAR-POS-d2a4d1df-31
0.397
MAR-TRE-6a44bbf2-51
0.383
JOH-UNI-e19b918c-10
0.356
MAR-TRE-6a44bbf2-74
0.333
MAK-UNK-7c9d1431-14
0.310
JOH-UNI-e19b918c-12
0.309
MAR-TRE-6a44bbf2-11
0.307
MAR-TRE-6a44bbf2-17
0.303
MAR-TRE-e86a56b5-54
0.300
JOH-IMS-0f19a540-3
0.295
JOH-IMS-7e73aedd-9
0.295
SAD-SAT-6b5a89f0-8
0.291
MAK-UNK-6ca90168-26
0.290
MAR-TRE-6a44bbf2-57
0.288
MAR-TRE-6a44bbf2-84
0.286
AHN-SAT-de2502ba-16
0.284
AHN-SAT-de2502ba-9
0.280
MAK-UNK-1e8f9e3c-4
0.279
EDJ-MED-a364e151-3
0.278
MAR-TRE-6a44bbf2-35
0.278
AHN-SAT-de2502ba-19
0.278
TAT-ENA-80bfd3e5-42
0.275
MAT-POS-fa06b69f-8
0.275
AAR-POS-0daf6b7e-20
0.274
JOH-UNI-e19b918c-5
0.274
MAR-TRE-6a44bbf2-6
0.273
NAT-WAB-78d8bb1c-1
0.273
MAR-TRE-36bf7dba-42
0.272
JOH-UNI-e19b918c-4
0.271
SAD-SAT-6b5a89f0-1
0.271
AHN-SAT-de2502ba-17
0.270
AHN-SAT-de2502ba-18
0.270
YOI-UNK-4c10088f-1
0.270
DAV-UNK-07f953a2-3
0.268
MAR-TRE-6a44bbf2-98
0.268
MAR-TRE-6a44bbf2-72
0.267
AHN-SAT-de2502ba-10
0.267
MAR-TRE-6a44bbf2-93
0.265
MAR-TRE-6a44bbf2-97
0.265
YOI-UNK-97f54f0c-1
0.264
MAR-TRE-6a44bbf2-27
0.263
MAR-TRE-fd17a9b8-13
0.263
MAR-TRE-6a44bbf2-88
0.262
MAT-POS-fa06b69f-5
0.259
TAT-ENA-80bfd3e5-36
0.259
SAD-SAT-6b5a89f0-10
0.259
MAR-TRE-6a44bbf2-95
0.257
MAR-TRE-66ac689e-50
0.256
MAK-UNK-6ca90168-29
0.254
YOI-UNK-144e4c15-1
0.253
NAT-WAB-78d8bb1c-2
0.253
MAR-TRE-92684b97-22
0.253
JON-UNI-93996c9d-5
0.250
MAR-TRE-a78003aa-93
0.247
JOH-IMS-0f19a540-12
0.247
JOH-IMS-0f19a540-7
0.247
MAK-UNK-72659d64-9
0.246
ROD-UFR-74bef589-1
0.244
MAR-TRE-8a25d817-17
0.244
NEH-REV-107bcf72-3
0.244
EDG-MED-0da5ad92-21
0.243
MAK-UNK-f983951f-22
0.242
MAK-UNK-72659d64-10
0.242
MAR-TRE-f5c2d31c-59
0.241
MAR-TRE-4f781e27-57
0.241
EDJ-MED-a364e151-2
0.241
CHR-UNL-7577488f-1
0.241
MAR-TRE-aca67d11-9
0.241
ROD-UFR-d767f115-1
0.241
YOI-UNK-144e4c15-2
0.241
IND-SYN-6c8299e8-6
0.240
MAR-TRE-6a44bbf2-54
0.240
MAK-UNK-7c9d1431-16
0.240
SAD-SAT-2ceae68f-8
0.240
LON-WEI-5e7d1b3e-55
0.240
LON-WEI-4d77710c-55
0.240
SWA-SYN-6423ea73-1
0.239
MAT-POS-162a9720-6
0.239
JOH-UNI-e19b918c-13
0.239
SWA-SYN-d2e6fa14-1
0.239
MAK-UNK-6ca90168-4
0.239
JOH-UNI-e19b918c-8
0.239
VLA-UCB-00f2c2b3-7
0.237
SAD-SAT-d8079f6f-8
0.237
JOH-IMS-0f19a540-13
0.237
DAV-CRI-3edb475e-5
0.236
MAR-TRE-6a44bbf2-91
0.236
MAR-TRE-6a44bbf2-94
0.236
MAR-TRE-fd17a9b8-7
0.235
RAF-SAT-b3ff87a1-4
0.235
MAR-TRE-fd17a9b8-77
0.235
JOH-UNI-ee5ed7c8-4
0.234
GAB-REV-4a4e2ff3-19
0.234
MAR-TRE-7f7bb9f0-28
0.234
JOH-UNI-3fc3434e-4
0.234
ABI-SAT-4d06482b-2
0.234
MAR-TRE-6a44bbf2-50
0.233
AHN-SAT-de2502ba-7
0.232
MAR-TRE-a3327163-47
0.232
TAM-UNI-d1c3dd9f-18
0.232