Molecular Properties | |
SMILES: | O=C(CCl)Nc1ccc2c(c1)NC(=O)CO2 |
MW: | 240.03 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 67.43 |
cLogP: | 1.19 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9837267926 |
MolPort: | MolPort-014-571-261 |
MAR-TRE-6a44bbf2-74
0.444
MAR-TRE-6a44bbf2-17
0.431
MAR-TRE-6a44bbf2-84
0.406
MAR-TRE-6a44bbf2-35
0.394
MAR-TRE-a9136c7b-19
0.361
MAR-TRE-a9136c7b-94
0.360
AHN-SAT-de2502ba-13
0.351
MAR-TRE-6a44bbf2-83
0.351
MAR-TRE-a9136c7b-53
0.333
MAR-TRE-6a44bbf2-93
0.329
SAD-SAT-6b5a89f0-8
0.322
MAR-TRE-6a44bbf2-42
0.321
LON-WEI-8f408cad-1
0.303
MAK-UNK-7a704a63-10
0.303
AAR-POS-0daf6b7e-11
0.303
MAR-TRE-6a44bbf2-90
0.300
MAR-TRE-c317dd82-79
0.299
YOI-UNK-4c10088f-1
0.299
MAR-TRE-6a44bbf2-88
0.292
SAD-SAT-6b5a89f0-10
0.290
MAK-UNK-72659d64-3
0.288
MAR-TRE-6a44bbf2-89
0.288
MAR-TRE-6a44bbf2-100
0.287
AHN-SAT-de2502ba-4
0.287
SWA-SYN-6423ea73-9
0.282
SWA-SYN-d2e6fa14-10
0.282
AHN-SAT-de2502ba-6
0.282
MAR-TRE-6a44bbf2-43
0.282
IND-SYN-6c8299e8-8
0.282
MAR-TRE-6a44bbf2-16
0.282
AAR-POS-d2a4d1df-38
0.275
AHN-SAT-de2502ba-5
0.275
MAK-UNK-ca11b4f7-1
0.273
MAR-TRE-6a44bbf2-10
0.271
MAR-TRE-6a44bbf2-19
0.271
MAK-UNK-1e8f9e3c-5
0.270
MED-COV-4280ac29-10
0.268
IND-SYN-6c8299e8-9
0.268
MAR-TRE-6a44bbf2-51
0.268
AAR-POS-d2a4d1df-31
0.267
WAR-XCH-bdd24732-24
0.262
MAR-TRE-6a44bbf2-85
0.260
MAR-TRE-6a44bbf2-72
0.259
MAR-TRE-6a44bbf2-60
0.257
MAK-UNK-1e8f9e3c-3
0.256
MAR-TRE-799db12b-59
0.253
MAR-TRE-6a44bbf2-59
0.253
SAD-SAT-f0a2747f-7
0.250
MAK-UNK-1e8f9e3c-6
0.250
KEI-TRE-d5e2018a-6
0.245
MAR-TRE-2fd8122f-9
0.245
MAR-TRE-7f7bb9f0-84
0.245
MAK-UNK-6ca90168-26
0.243
MAR-TRE-fffca54f-20
0.242
MAR-TRE-6a44bbf2-47
0.237
MAR-TRE-6a44bbf2-6
0.235
MAK-UNK-72659d64-10
0.235
IND-SYN-6c8299e8-6
0.235
MAR-TRE-6a44bbf2-91
0.231
MAK-UNK-849bee6c-24
0.230
WIL-UNI-1faa9b10-56
0.230
MIC-UNK-10ba69b4-3
0.229
AHN-SAT-de2502ba-16
0.229
AAR-POS-0daf6b7e-20
0.229
MAK-UNK-987948f6-6
0.227
MIC-UNK-10ba69b4-1
0.227
MAR-TRE-a9136c7b-11
0.227
KAD-UNI-cb0f2bbc-19
0.227
MAT-POS-a3f7f96a-8
0.227
AHN-SAT-de2502ba-9
0.226
RAF-POL-9fce0577-2
0.226
MAK-UNK-f983951f-26
0.225
MIC-UNK-66895286-2
0.225
MIC-UNK-d935700b-2
0.225
BAR-COM-0f94fc3d-48
0.224
SAD-SAT-6b5a89f0-1
0.224
AHN-SAT-de2502ba-19
0.222
RAL-MED-2de63afb-11
0.222
MAR-TRE-0fda4e82-94
0.221
MAK-UNK-987948f6-7
0.221
MIC-UNK-d935700b-1
0.221
RUB-POS-1325a9ea-1
0.220
MAT-POS-f7918075-7
0.220
EDG-MED-21720aac-3
0.220
MIC-UNK-66895286-3
0.220
MAR-TRE-6a44bbf2-76
0.220
MAR-TRE-c317dd82-63
0.220
MAK-UNK-72659d64-1
0.219
MIC-UNK-10ba69b4-2
0.219
MAR-TRE-2fd8122f-83
0.219
MAK-UNK-1e8f9e3c-4
0.219
MAK-UNK-f481d203-8
0.218
MAR-TRE-9d18ae8c-53
0.218
VLA-UCB-00f2c2b3-7
0.218
MAT-POS-162a9720-6
0.218
AHN-SAT-de2502ba-17
0.217
AHN-SAT-de2502ba-18
0.217
EDG-MED-21720aac-5
0.217
EDJ-MED-d203f206-29
0.217
RAL-MED-2de63afb-7
0.216