Molecular Properties | |
SMILES: | Cc1cccc(SCC(=O)NCCNC(=O)c2cccc(F)c2)c1 |
MW: | 346.12 |
Fraction sp3: | 0.22 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 58.2 |
cLogP: | 2.77 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
AAR-UNI-c25c2f1e-39
0.424
AAR-UNI-c25c2f1e-89
0.386
AAR-UNI-c25c2f1e-29
0.378
AAR-UNI-c25c2f1e-37
0.370
AAR-UNI-c25c2f1e-6
0.340
AAR-UNI-c25c2f1e-83
0.340
MAR-TRE-9d18ae8c-10
0.289
WIL-UNI-1faa9b10-44
0.283
MAR-TRE-4f781e27-85
0.282
BEN-DND-76ad4ac9-4
0.282
WIL-UNI-1faa9b10-7
0.271
AAR-UNI-c25c2f1e-85
0.265
RAF-POL-b61b4b25-9
0.261
GIA-UNK-995df016-15
0.258
MAK-UNK-af83ef51-13
0.256
AAR-UNI-c25c2f1e-54
0.253
MAR-TRE-3159af1a-53
0.253
MAR-TRE-f6f5f473-41
0.252
MAR-TRE-14ce9fd6-43
0.250
MAR-TRE-6c5ef77a-47
0.250
MAR-TRE-c8530538-87
0.250
MAR-TRE-799db12b-75
0.250
MAR-TRE-f5c2d31c-6
0.250
MAR-TRE-6c5ef77a-17
0.250
MAR-TRE-0fda4e82-47
0.247
WAL-WAB-df110a02-1
0.243
MAR-TRE-92684b97-91
0.242
MAR-TRE-8190bb11-36
0.242
ALP-POS-ced8ea4d-27
0.241
KUS-THE-322b9b63-11
0.241
MAR-TRE-c8530538-67
0.240
ALP-UNI-fe744232-9
0.240
SAD-SAT-29425be4-20
0.240
JON-UIO-56032f80-2
0.239
NIM-UNI-6eebfcd4-2
0.238
MAR-TRE-6a44bbf2-3
0.237
MAR-LAB-ca4662a6-5
0.236
ALP-UNI-fe744232-15
0.236
UNK-CYC-68f84b31-65
0.235
MAR-TRE-f6f5f473-42
0.235
AAR-UNI-c25c2f1e-63
0.235
MAR-TRE-f6f5f473-22
0.234
MAK-UNK-942dcb71-3
0.234
ALP-UNI-fe744232-17
0.234
CHE-UNK-35529387-1
0.234
CHE-UNK-35529387-2
0.234
SAD-SAT-1f400d17-10
0.233
NIR-THE-0d6461ce-1
0.233
BRU-THA-92256091-24
0.233
AAR-POS-d2a4d1df-24
0.233
MAR-TRE-c8530538-69
0.232
MAR-TRE-8190bb11-95
0.232
EDJ-MED-bbe8e3da-3
0.231
MAT-POS-b5746674-112
0.231
WIL-UNI-354943b6-3
0.231
ALP-POS-305f6ec3-46
0.231
ALP-POS-d0876c20-14
0.231
AAR-UNI-c25c2f1e-30
0.231
UNK-CYC-68f84b31-45
0.231
LON-WEI-babf2c61-2
0.230
MAR-TRE-0fda4e82-90
0.230
MAR-TRE-c8530538-39
0.230
DRR-IMP-38dce17f-2
0.230
ALP-POS-305f6ec3-35
0.230
NAU-LAT-e1818702-11
0.229
MAR-LAB-ca4662a6-4
0.229
PET-UNK-48ab5cd7-1
0.229
ALP-UNI-fe744232-19
0.228
ALP-POS-95b75b4d-1
0.228
LON-WEI-babf2c61-6
0.228
ALP-POS-ced8ea4d-7
0.228
WIL-UNI-354943b6-8
0.228
SEL-UNI-cd366922-9
0.227
BEN-DND-b89db3f2-4
0.227
BAR-COM-0f94fc3d-56
0.226
AAR-UNI-c25c2f1e-1
0.226
MAR-TRE-04c86cea-54
0.226
ALP-POS-e980f4ea-27
0.226
MAR-TRE-66ac689e-28
0.226
WIL-UNI-354943b6-9
0.226
MAR-TRE-92684b97-86
0.226
MAR-TRE-c8530538-83
0.225
MAT-POS-02ae579f-1
0.225
JAG-UCB-ef2c0e8e-3
0.224
ALP-POS-d0876c20-17
0.224
MAK-UNK-37f1d6fa-6
0.224
LON-WEI-babf2c61-13
0.224
SAD-SAT-5b1897b2-4
0.224
MAR-TRE-799db12b-20
0.223
MAR-TRE-66ac689e-68
0.223
MAK-UNK-752736de-2
0.223
MAR-TRE-92684b97-85
0.223
MED-COV-4280ac29-23
0.223
UNK-CYC-68f84b31-54
0.223
ALP-POS-e980f4ea-7
0.223
MAR-TRE-74c6519b-70
0.223
ALP-POS-305f6ec3-33
0.223
ALP-POS-d0876c20-5
0.222
WIL-UNI-1faa9b10-52
0.222
ALP-POS-95f71980-4
0.222