Molecular Properties | |
SMILES: | Cc1ccc(CCNC(=O)NCC(=O)NC2CCCCC2)cn1 |
MW: | 318.21 |
Fraction sp3: | 0.59 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 83.12 |
cLogP: | 1.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
AAR-POS-d2a4d1df-12
0.408
CES-WAB-18e74d70-1
0.333
SAD-SAT-edc8a235-1
0.333
PET-SGC-c429dc17-1
0.333
TRY-UNI-714a760b-11
0.321
ALE-HEI-f28a35b5-7
0.321
JUL-TUD-06b2044f-140
0.320
DAR-DIA-03336633-2
0.316
GIA-UNK-3f36037a-3
0.316
TRY-UNI-714a760b-7
0.313
MAK-UNK-f2409524-3
0.311
DAR-DIA-03336633-7
0.310
LON-WEI-af038623-1
0.309
DAR-DIA-03336633-5
0.303
MAR-TRE-f6f5f473-98
0.303
MAK-UNK-f2409524-15
0.302
MAR-TRE-74c6519b-48
0.302
DAR-DIA-03336633-1
0.300
HAN-NEW-5f56c3bc-3
0.300
MAK-UNK-f2409524-14
0.299
ALE-HEI-f28a35b5-8
0.296
MAR-TRE-f6f5f473-76
0.296
AAR-UNI-c25c2f1e-45
0.295
DAR-DIA-03336633-6
0.295
MAR-TRE-f6f5f473-54
0.291
MAK-UNK-f2409524-37
0.291
ZAC-WAB-b0242612-1
0.291
MAR-TRE-b77b7921-35
0.290
MAK-UNK-f2409524-36
0.289
MAR-TRE-14ce9fd6-1
0.289
MAR-TRE-3159af1a-49
0.289
MAR-TRE-04c86cea-8
0.288
MAR-TRE-3e4e6814-82
0.286
MAK-UNK-f2409524-20
0.283
GIA-UNK-3f36037a-1
0.282
MAK-UNK-f2409524-35
0.281
AAR-UNI-c25c2f1e-3
0.280
AAR-UNI-c25c2f1e-90
0.278
MAR-TRE-f6f5f473-89
0.277
MAR-TRE-b77b7921-93
0.277
MAK-UNK-f2409524-16
0.276
MAK-UNK-f2409524-2
0.276
MAK-UNK-f2409524-18
0.276
MAR-TRE-0fda4e82-42
0.276
MAR-TRE-0fda4e82-2
0.274
MAK-UNK-f2409524-13
0.273
MAK-UNK-f2409524-17
0.270
DAR-DIA-03336633-3
0.269
MAK-UNK-f2409524-27
0.268
ZAC-WAB-86e8bacf-1
0.264
MAR-TRE-f5c2d31c-93
0.263
MAK-UNK-f2409524-4
0.263
MAK-UNK-f2409524-33
0.262
DAR-DIA-03336633-4
0.261
ROM-UNK-ef52a3c9-3
0.260
MAK-UNK-f2409524-19
0.258
CLI-TLC-0b41e95c-1
0.258
MAK-UNK-f2409524-7
0.257
MAR-TRE-b77b7921-13
0.257
MAR-TRE-f6f5f473-70
0.257
JON-UNI-2a110085-6
0.255
MAR-TRE-fd17a9b8-96
0.255
MAR-TRE-3159af1a-73
0.255
AAR-UNI-c25c2f1e-52
0.255
DAN-MCD-881986d8-1
0.255
MAK-UNK-b2c98f02-3
0.255
MAR-TRE-74c6519b-3
0.255
MAR-TRE-04c86cea-10
0.255
EDG-MED-0da5ad92-13
0.253
MAR-TRE-3e4e6814-57
0.253
MAK-UNK-f2409524-31
0.252
MAK-UNK-b2c98f02-1
0.252
MAK-UNK-b2c98f02-5
0.252
MAK-UNK-f2409524-32
0.252
AAR-UNI-c25c2f1e-69
0.250
MAR-TRE-f6f5f473-15
0.250
MAK-UNK-f2409524-6
0.250
NIC-UNI-f08e2453-2
0.250
PET-SGC-a9e9d4f4-1
0.248
MAR-TRE-3e4e6814-62
0.247
MAK-UNK-f2409524-34
0.245
MAR-TRE-74c6519b-71
0.245
LON-WEI-5e7d1b3e-27
0.245
LON-WEI-4d77710c-27
0.245
MAR-TRE-9c797165-38
0.245
JAN-GHE-76def03c-1
0.243
AAR-UNI-c25c2f1e-81
0.243
ASH-UNK-40b46b30-4
0.243
TRY-UNI-714a760b-10
0.241
ALE-HEI-f28a35b5-6
0.241
EDG-MED-0da5ad92-4
0.241
MAK-UNK-f2409524-21
0.240
DAR-DIA-03336633-13
0.240
MAR-LAB-efb042c5-2
0.240
MAR-TRE-7f7bb9f0-68
0.240
MAR-TRE-b77b7921-97
0.240
MAR-TRE-6a44bbf2-67
0.239
SIM-DEM-2843056b-1
0.238
SIM-DEM-2843056b-6
0.238
MAK-UNK-f2409524-28
0.238