Molecular Properties | |
SMILES: | Cc1nc(NCCNC(=O)Nc2ccc(C)c(F)c2)cc(N2CCOCC2)n1 |
MW: | 388.2 |
Fraction sp3: | 0.42 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 91.41 |
cLogP: | 2.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9513597069 |
MolPort: | MolPort-009-740-013 |
Aliphatic long chain
MAR-TRE-f5c2d31c-19
0.782
MAR-TRE-f5c2d31c-7
0.704
MAR-TRE-f5c2d31c-9
0.699
MAR-TRE-f5c2d31c-33
0.698
MAR-TRE-f5c2d31c-11
0.690
MAR-TRE-f5c2d31c-37
0.679
MAR-TRE-f5c2d31c-70
0.674
MAR-TRE-fd17a9b8-49
0.674
MAR-TRE-f5c2d31c-39
0.667
MAR-TRE-f5c2d31c-27
0.651
MAR-TRE-f5c2d31c-54
0.629
MAR-TRE-f5c2d31c-57
0.628
MAR-TRE-f5c2d31c-29
0.621
MAR-TRE-f5c2d31c-22
0.596
MAR-TRE-f5c2d31c-66
0.596
MAR-TRE-f5c2d31c-42
0.538
MAR-TRE-fd17a9b8-72
0.533
MAR-TRE-f5c2d31c-99
0.516
MAR-TRE-f5c2d31c-13
0.510
MAR-TRE-f5c2d31c-25
0.500
MAR-TRE-f5c2d31c-8
0.500
MAR-TRE-f5c2d31c-43
0.500
MAR-TRE-f5c2d31c-34
0.478
MAR-TRE-f5c2d31c-12
0.473
MAR-TRE-f5c2d31c-96
0.468
MAR-TRE-f5c2d31c-38
0.463
MAR-TRE-f5c2d31c-81
0.463
MAR-TRE-f5c2d31c-83
0.460
MAR-TRE-f5c2d31c-18
0.459
MAR-TRE-f5c2d31c-20
0.459
MAR-TRE-f5c2d31c-36
0.444
MAR-TRE-f5c2d31c-63
0.431
MAR-TRE-f5c2d31c-85
0.413
MAR-TRE-f5c2d31c-52
0.406
MAR-TRE-f5c2d31c-35
0.394
MAR-TRE-f5c2d31c-74
0.392
MAR-TRE-fd17a9b8-85
0.314
BAR-COM-4e090d3a-58
0.304
AHN-SAT-de2502ba-13
0.302
MAR-TRE-6a44bbf2-83
0.302
MAR-TRE-f5c2d31c-79
0.301
WIL-UNI-1faa9b10-52
0.297
MAR-TRE-6a44bbf2-67
0.290
MAR-TRE-1c920f6f-30
0.288
MAR-TRE-67513f76-86
0.284
BAR-COM-0f94fc3d-33
0.280
MAR-TRE-dab8f6ea-33
0.279
MAR-TRE-9c797165-83
0.278
GAB-FAC-880f6604-1
0.271
PET-SGC-276eba5a-1
0.270
MAR-TRE-67513f76-88
0.267
MAR-TRE-6a44bbf2-42
0.267
BAR-COM-4e090d3a-54
0.267
AHN-SAT-de2502ba-9
0.265
BEN-DND-93268d01-10
0.263
MAR-TRE-67513f76-60
0.262
MAR-TRE-9c797165-69
0.260
NIM-UNI-310206f0-7
0.258
JOH-UNI-522b0723-10
0.257
MAR-TRE-9c797165-32
0.255
MAR-TRE-3159af1a-71
0.255
MAR-TRE-3159af1a-95
0.254
MAR-TRE-3159af1a-17
0.252
MAR-TRE-d0525fbf-99
0.250
MAR-TRE-3159af1a-64
0.248
MAR-TRE-3159af1a-88
0.248
MAR-TRE-4b834d9a-64
0.248
MAR-TRE-9c797165-58
0.245
AAR-UNI-c25c2f1e-30
0.245
MAR-TRE-6a44bbf2-16
0.244
ROB-UNI-b2e39629-12
0.243
MAR-TRE-c317dd82-23
0.243
AHN-SAT-de2502ba-4
0.240
MAR-TRE-6a44bbf2-100
0.240
MAR-TRE-3159af1a-82
0.239
MAR-TRE-fd17a9b8-97
0.239
ALE-HEI-f28a35b5-13
0.239
SAD-SAT-f25ee457-9
0.239
WIL-LEE-1f71e281-1
0.238
WIL-NOV-649f4ed0-2
0.238
MAR-TRE-9c797165-3
0.238
WIL-LEE-23e8b574-8
0.238
SAD-SAT-f25ee457-3
0.237
MAR-TRE-3159af1a-52
0.237
AAR-UNI-c25c2f1e-51
0.237
MAR-LAB-ca4662a6-5
0.237
MAK-UNK-be5ffcbc-7
0.236
BOG-INS-bdba9cfb-1
0.235
MAR-TRE-dab8f6ea-42
0.235
AAR-UNI-c25c2f1e-67
0.235
STU-CHA-6cae54d3-1
0.234
ALP-POS-305f6ec3-22
0.234
MAR-TRE-8190bb11-100
0.234
MAR-TRE-2fd8122f-89
0.231
MAR-TRE-8190bb11-7
0.231
MIC-UNK-2744a8e2-8
0.231
MAR-TRE-f5c2d31c-24
0.230
MAT-POS-f42f3716-6
0.230
SAD-SAT-7d5528d9-4
0.230
MAR-TRE-3159af1a-28
0.230