Molecular Properties | |
SMILES: | O=C(NCCCCNC(=O)c1ccc(F)cc1)Nc1ccccc1 |
MW: | 329.15 |
Fraction sp3: | 0.22 |
HBA: | 2 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 70.23 |
cLogP: | 3.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Unbranched chain
AAR-UNI-c25c2f1e-97
0.486
AAR-UNI-c25c2f1e-46
0.485
AAR-UNI-c25c2f1e-30
0.423
AAR-UNI-c25c2f1e-16
0.423
AAR-UNI-c25c2f1e-45
0.405
AAR-UNI-c25c2f1e-51
0.375
AAR-UNI-c25c2f1e-78
0.373
AAR-UNI-c25c2f1e-100
0.360
AAR-UNI-c25c2f1e-39
0.358
AAR-UNI-c25c2f1e-82
0.355
WAR-XCH-79d12f6e-3
0.353
MAX-MCD-16e3709a-1
0.344
CHR-SOS-7098f804-9
0.339
AAR-UNI-c25c2f1e-65
0.338
MAK-UNK-37f1d6fa-3
0.337
WES-WAB-6f418dc2-1
0.333
MAK-UNK-37f1d6fa-7
0.330
AAR-UNI-c25c2f1e-71
0.329
SID-ELM-8b394441-1
0.329
MAT-POS-b5746674-112
0.326
TAT-ENA-80bfd3e5-23
0.324
MAK-UNK-37f1d6fa-2
0.323
SAD-SAT-6b5a89f0-8
0.322
MAR-TRE-9d18ae8c-7
0.321
SID-ELM-b654bfa2-2
0.320
WES-WAB-2b40d25a-1
0.318
SID-ELM-b654bfa2-7
0.316
SID-ELM-b654bfa2-3
0.316
MAR-TRE-4f781e27-49
0.315
SID-ELM-b654bfa2-17
0.312
WIL-UNI-5578df48-7
0.312
MAR-TRE-9d18ae8c-52
0.310
AAR-UNI-c25c2f1e-87
0.307
SID-ELM-b654bfa2-1
0.307
WIL-UNI-1faa9b10-56
0.305
SID-ELM-b654bfa2-19
0.304
NIC-UNI-0cb6411b-1
0.300
SID-ELM-b654bfa2-5
0.300
AAR-UNI-c25c2f1e-60
0.300
AAR-POS-d2a4d1df-11
0.299
MAK-UNK-37f1d6fa-4
0.297
SID-ELM-b654bfa2-4
0.296
SID-ELM-b654bfa2-18
0.296
SID-ELM-b654bfa2-22
0.293
GAB-FAC-880f6604-1
0.292
WIL-UNI-5578df48-12
0.291
PET-SGC-0f1d26ed-2
0.291
CHR-SOS-7098f804-8
0.290
NAU-LAT-64f4b287-8
0.289
SID-ELM-2583a2cd-7
0.288
SID-ELM-b654bfa2-6
0.287
AAR-UNI-c25c2f1e-64
0.287
AAR-UNI-c25c2f1e-20
0.287
WIL-UNI-5578df48-10
0.286
MAR-TRE-e82e6c98-50
0.284
GIA-UNK-3f36037a-4
0.282
WAR-XCH-79d12f6e-10
0.282
WAR-XCH-b0339bbe-20
0.282
SID-ELM-2583a2cd-5
0.282
WIL-LEE-23e8b574-6
0.282
SID-ELM-2583a2cd-6
0.278
MAR-TRE-e86a56b5-66
0.276
AAR-UNI-c25c2f1e-41
0.276
SAD-SAT-cefd50cc-5
0.276
AAR-UNI-c25c2f1e-40
0.275
SID-ELM-8b394441-3
0.274
MAR-TRE-4f781e27-85
0.273
CLI-UNI-032f7715-2
0.273
TRY-UNI-714a760b-4
0.270
ALE-HEI-f28a35b5-1
0.270
MAK-UNK-a7b37c5e-5
0.270
MAR-TRE-f6f5f473-1
0.270
MAK-UNK-129dcd6f-6
0.269
SID-ELM-8b394441-6
0.269
MAR-TRE-f5c2d31c-38
0.269
MAK-UNK-0955449e-25
0.269
GIA-UNK-3f36037a-7
0.269
AAR-UNI-c25c2f1e-33
0.268
AAR-UNI-c25c2f1e-31
0.268
SID-ELM-8b394441-15
0.268
ALE-HEI-f28a35b5-15
0.268
HAN-NEW-5f56c3bc-1
0.267
DRA-CSI-3ab97369-16
0.266
MAR-TRE-8190bb11-96
0.266
DRA-CSI-57d71107-2
0.266
WIL-UNI-5578df48-1
0.266
SID-ELM-8b394441-10
0.265
AAR-UNI-c25c2f1e-89
0.265
AAR-UNI-c25c2f1e-6
0.264
HAN-NEW-5f56c3bc-3
0.263
DAR-DIA-03336633-1
0.263
TRY-UNI-714a760b-8
0.263
SID-ELM-8b394441-7
0.263
BEN-DND-031a96cc-8
0.260
MAR-TRE-6a44bbf2-85
0.260
AHN-SAT-de2502ba-7
0.260
WAR-XCH-79d12f6e-1
0.260
SID-ELM-8b394441-5
0.260
WAR-XCH-b0339bbe-12
0.260
MAK-UNK-37f1d6fa-6
0.260