Molecular Properties | |
SMILES: | Cc1cccc(NC(=O)NCCC(=O)NCc2ccccn2)c1 |
MW: | 312.16 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 83.12 |
cLogP: | 2.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-UNI-c25c2f1e-22
0.512
AAR-UNI-c25c2f1e-54
0.384
WAR-XCH-eb7b662f-6
0.382
MAR-TRE-04c86cea-43
0.380
MAT-POS-b5746674-68
0.374
MAR-TRE-f5c2d31c-18
0.371
IAN-BAS-36ca50f1-1
0.370
MAR-TRE-f5c2d31c-9
0.365
MAR-TRE-9d18ae8c-43
0.352
MAR-TRE-e86a56b5-33
0.350
LON-WEI-4d77710c-49
0.344
LON-WEI-5e7d1b3e-49
0.344
TRI-UNI-97428359-2
0.340
MAR-TRE-14ce9fd6-43
0.333
MAR-TRE-fd17a9b8-70
0.330
BEN-DND-93268d01-4
0.329
MAR-TRE-3159af1a-85
0.323
MAR-TRE-3e4e6814-29
0.320
MAR-TRE-d0525fbf-96
0.312
TRI-UNI-97428359-1
0.312
MAR-TRE-f6f5f473-3
0.311
BAR-COM-4e090d3a-60
0.305
JUL-TUD-06b2044f-155
0.304
ANT-DIA-045cfdc4-4
0.304
JAG-UCB-ef2c0e8e-3
0.304
TRI-UNI-97428359-3
0.303
AAR-UNI-c25c2f1e-30
0.302
MAK-UNK-af83ef51-13
0.301
JOH-UNI-c7afdb96-8
0.298
AAR-UNI-c25c2f1e-46
0.298
MAR-TRE-3159af1a-20
0.297
LOR-NOR-30067bb9-8
0.297
BAR-COM-4e090d3a-23
0.296
JOH-UNI-c7afdb96-13
0.294
DAN-MCD-8aee1169-1
0.291
DAN-MCD-52f1549c-1
0.291
NIR-THE-0d6461ce-1
0.291
JOH-UNI-c7afdb96-7
0.291
THO-SYG-cc9e9a11-1
0.290
THO-SYG-cc9e9a11-3
0.284
JOH-UNI-c7afdb96-6
0.284
BAR-COM-4e090d3a-54
0.280
BAR-COM-4e090d3a-48
0.279
ALE-HEI-f28a35b5-15
0.278
MAR-TRE-799db12b-97
0.278
AAR-UNI-c25c2f1e-8
0.278
AAR-UNI-c25c2f1e-31
0.278
MAR-TRE-f6f5f473-59
0.278
BAR-COM-4e090d3a-61
0.277
AAR-UNI-c25c2f1e-53
0.276
MAK-UNK-c8c8f7e2-17
0.273
MAR-TRE-04c86cea-24
0.273
MAR-TRE-04c86cea-42
0.273
MAR-TRE-fd17a9b8-31
0.273
IAN-BAS-09a74a47-1
0.271
MAK-UNK-c8c8f7e2-18
0.270
AAR-UNI-c25c2f1e-100
0.270
MAR-SOS-c7881798-6
0.269
MAR-SOS-82e3a7c7-6
0.269
DRR-IMP-38dce17f-5
0.268
AAR-UNI-c25c2f1e-78
0.267
MAR-TRE-3e4e6814-40
0.266
MAR-TRE-3e4e6814-15
0.266
AAR-UNI-c25c2f1e-75
0.266
MAR-TRE-92684b97-6
0.265
EDJ-MED-15e90dfc-4
0.264
AAR-UNI-c25c2f1e-51
0.264
AGN-NEW-c7b24fe3-3
0.264
AGN-NEW-c7b24fe3-6
0.264
AAR-UNI-c25c2f1e-45
0.264
THO-SYG-cc9e9a11-5
0.263
GIA-UNK-3f36037a-7
0.263
MAR-TRE-f5c2d31c-39
0.262
EDJ-MED-f073a5ff-3
0.262
MAR-TRE-c8530538-79
0.260
AAR-UNI-c25c2f1e-89
0.260
MAR-TRE-f5c2d31c-63
0.259
MAR-TRE-74c6519b-43
0.259
MAR-TRE-3159af1a-64
0.259
EDJ-MED-49816e9b-1
0.258
MAK-UNK-ec98eaf6-32
0.258
BAR-COM-21d20d65-5
0.258
THO-SYG-cc9e9a11-7
0.257
MAR-TRE-f5c2d31c-11
0.257
MAR-TRE-3159af1a-12
0.257
MAR-TRE-04c86cea-3
0.257
MAR-TRE-74c6519b-34
0.257
MAK-UNK-752736de-6
0.256
JON-UIO-066ce08b-3
0.256
AAR-UNI-c25c2f1e-40
0.256
MIC-UNK-66895286-5
0.255
RAL-THA-2d450e86-13
0.255
DAR-DIA-23aa0b97-1
0.255
MAR-TRE-fd17a9b8-95
0.255
ALE-HEI-f28a35b5-13
0.253
MAK-UNK-d1e89583-8
0.253
DAR-DIA-23aa0b97-12
0.253
PET-SGC-2e937068-1
0.253
MAR-TRE-04c86cea-51
0.252
MAR-TRE-04c86cea-99
0.252