Molecular Properties | |
SMILES: | Cc1cc(=O)[nH]c(CCNC(=O)CCc2cccnc2)n1 |
MW: | 286.14 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 87.74 |
cLogP: | 0.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3405158844 |
MolPort: | MolPort-038-411-110 |
MAR-TRE-c8530538-54
0.671
MAR-TRE-c8530538-35
0.525
MAR-TRE-c8530538-29
0.512
MAR-TRE-c8530538-65
0.512
MAR-TRE-c8530538-45
0.487
MAR-TRE-c8530538-79
0.482
MAR-TRE-c8530538-2
0.478
MAR-TRE-c8530538-53
0.470
MAR-TRE-c8530538-39
0.464
MAR-TRE-c8530538-69
0.435
MAR-TRE-c8530538-52
0.435
MAR-TRE-c8530538-70
0.433
MAR-TRE-c8530538-84
0.411
MAR-TRE-c8530538-83
0.404
MAR-TRE-c8530538-87
0.404
MAR-TRE-c8530538-24
0.393
MAR-TRE-c8530538-67
0.387
MAR-TRE-c8530538-64
0.380
MAR-TRE-c8530538-80
0.379
MAR-TRE-c8530538-44
0.352
MAR-TRE-c8530538-100
0.351
BAR-COM-4e090d3a-8
0.337
MAR-TRE-fd17a9b8-80
0.333
MAR-TRE-c8530538-88
0.330
ANT-DIA-b7f58f21-1
0.324
MAR-TRE-c8530538-14
0.322
MAR-TRE-2fd8122f-93
0.320
CHA-MCP-85291e1d-7
0.311
GAB-REV-70cc3ca5-13
0.310
JAR-KUA-8c13982c-13
0.304
MAR-TRE-c8530538-58
0.304
MAR-TRE-4f781e27-29
0.302
MAR-TRE-c8530538-66
0.298
MAR-TRE-c8530538-90
0.297
MAR-TRE-2fd8122f-80
0.296
MAR-TRE-fd17a9b8-69
0.293
MAR-TRE-c8530538-92
0.293
MAR-TRE-c8530538-10
0.290
MAR-TRE-67513f76-97
0.289
NAU-LAT-64f4b287-9
0.287
BEN-DND-93268d01-6
0.286
MAR-TRE-fd17a9b8-79
0.284
CHA-MCP-85291e1d-1
0.283
MAR-TRE-c8530538-32
0.281
MAR-TRE-3e4e6814-50
0.281
MAR-TRE-c8530538-63
0.280
ALP-POS-e980f4ea-7
0.280
ALP-POS-305f6ec3-39
0.278
MAR-TRE-04c86cea-51
0.277
MAR-TRE-9c797165-12
0.277
ALP-POS-f13221e1-4
0.275
MAR-TRE-04c86cea-96
0.275
BEN-DND-61647d40-8
0.273
BEN-DND-61647d40-17
0.273
MAR-TRE-d0525fbf-91
0.273
CHA-MCP-85291e1d-4
0.272
MAR-TRE-3e4e6814-67
0.272
BAR-COM-21d20d65-5
0.271
MAR-TRE-c8530538-23
0.271
CHR-SOS-59746812-2
0.270
MAR-TRE-b77b7921-74
0.269
MAR-TRE-b77b7921-25
0.269
MAR-TRE-c8530538-18
0.267
BRU-THA-92256091-11
0.266
SER-UNI-985a0e14-2
0.266
WIL-UNI-de614146-7
0.265
DRR-IMP-38dce17f-4
0.265
RAL-MED-2de63afb-1
0.263
DAR-DIA-43a5904b-17
0.263
ALP-UNI-fe744232-10
0.263
ALP-POS-e980f4ea-19
0.263
MAR-TRE-3e4e6814-59
0.263
BEN-DND-61647d40-18
0.261
ALP-POS-ced8ea4d-7
0.261
PEI-IMP-ca0b2813-4
0.260
DAR-DIA-43a5904b-14
0.259
ALP-POS-e980f4ea-27
0.259
DAR-DIA-23aa0b97-6
0.258
DAR-DIA-23aa0b97-4
0.258
BEN-DND-93268d01-5
0.258
ALP-POS-e980f4ea-34
0.258
ALP-POS-02c6a514-10
0.258
DAR-DIA-43a5904b-13
0.257
MAR-TRE-67513f76-81
0.257
ALP-POS-e980f4ea-49
0.256
ALP-POS-305f6ec3-52
0.256
ALP-POS-305f6ec3-42
0.256
SAD-SAT-24589cd1-4
0.256
EDG-MED-0da5ad92-2
0.256
PEI-IMP-ca0b2813-1
0.256
MAT-POS-ea426761-67
0.255
MAR-TRE-74c6519b-19
0.255
MAR-TRE-74c6519b-99
0.254
ALP-POS-305f6ec3-59
0.254
ALP-POS-e980f4ea-2
0.254
ALP-POS-305f6ec3-33
0.254
BRU-THA-92256091-12
0.254
ANT-DIA-3c79be55-2
0.253
CHR-SOS-59746812-6
0.253
MAR-TRE-67513f76-22
0.253