Molecular Properties | |
SMILES: | Cc1nc(NCCNC(=O)Nc2ccc(F)cc2F)cc(N2CCOCC2)n1 |
MW: | 392.18 |
Fraction sp3: | 0.39 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 91.41 |
cLogP: | 2.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1622051356 |
MolPort: | MolPort-009-740-014 |
Aliphatic long chain
MAR-TRE-f5c2d31c-54
0.686
MAR-TRE-f5c2d31c-7
0.683
MAR-TRE-f5c2d31c-29
0.679
MAR-TRE-f5c2d31c-22
0.671
MAR-TRE-f5c2d31c-57
0.667
MAR-TRE-f5c2d31c-66
0.651
MAR-TRE-f5c2d31c-28
0.651
MAR-TRE-f5c2d31c-37
0.619
MAR-TRE-f5c2d31c-19
0.616
MAR-TRE-f5c2d31c-9
0.602
MAR-TRE-f5c2d31c-11
0.596
MAR-TRE-f5c2d31c-33
0.587
MAR-TRE-f5c2d31c-8
0.586
MAR-TRE-f5c2d31c-39
0.576
MAR-TRE-f5c2d31c-25
0.534
MAR-TRE-fd17a9b8-72
0.533
MAR-TRE-f5c2d31c-43
0.500
MAR-TRE-f5c2d31c-34
0.478
MAR-TRE-f5c2d31c-85
0.470
MAR-TRE-f5c2d31c-35
0.465
MAR-TRE-f5c2d31c-52
0.464
MAR-TRE-f5c2d31c-12
0.457
MAR-TRE-f5c2d31c-74
0.449
MAR-TRE-f5c2d31c-38
0.448
MAR-TRE-fd17a9b8-49
0.440
MAR-TRE-f5c2d31c-70
0.440
MAR-TRE-f5c2d31c-13
0.436
MAR-TRE-f5c2d31c-81
0.433
MAR-TRE-f5c2d31c-42
0.430
MAR-TRE-f5c2d31c-20
0.430
MAR-TRE-f5c2d31c-96
0.423
MAR-TRE-f5c2d31c-99
0.410
MAR-TRE-f5c2d31c-18
0.402
MAR-TRE-f5c2d31c-83
0.390
MAR-TRE-f5c2d31c-36
0.388
MAR-TRE-f5c2d31c-63
0.377
MAR-TRE-3159af1a-15
0.342
MAR-TRE-fd17a9b8-85
0.327
JOH-UNI-c7afdb96-10
0.306
FAR-UNI-9a76d7b5-2
0.292
FAR-UNI-736b943a-11
0.292
MAR-TRE-6a44bbf2-67
0.290
MAR-TRE-f5c2d31c-79
0.288
MAR-TRE-dab8f6ea-33
0.279
MAR-TRE-9c797165-83
0.278
MAR-TRE-67513f76-86
0.271
BAR-COM-0f94fc3d-33
0.269
MAR-TRE-74c6519b-21
0.263
WIL-NOV-649f4ed0-2
0.262
ALP-POS-305f6ec3-22
0.261
GAB-FAC-880f6604-1
0.259
MAR-TRE-7f7bb9f0-24
0.259
NIM-UNI-310206f0-7
0.258
JAN-GHE-fd8d85a5-10
0.258
MAR-TRE-9c797165-58
0.257
MAR-TRE-d0525fbf-15
0.256
ALP-POS-95f71980-19
0.255
BAR-COM-4e090d3a-58
0.255
MAR-TRE-9c797165-32
0.255
MAR-TRE-3159af1a-71
0.255
ALP-POS-d0876c20-12
0.254
MAR-TRE-3159af1a-17
0.252
ANT-DIA-b7f58f21-9
0.252
MAR-TRE-f5c2d31c-24
0.252
MAR-LAB-ca4662a6-5
0.250
MAR-TRE-d0525fbf-17
0.250
MAR-TRE-67513f76-60
0.250
MAR-TRE-3159af1a-52
0.248
MAR-TRE-4b834d9a-41
0.248
MAK-UNK-be5ffcbc-7
0.248
MAR-TRE-9c797165-69
0.247
MAR-TRE-dab8f6ea-42
0.246
JOH-UNI-522b0723-10
0.245
MAR-TRE-3159af1a-95
0.244
ROB-UNI-b2e39629-12
0.243
BEN-VAN-c986b20b-17
0.240
AHN-SAT-de2502ba-9
0.240
MAR-TRE-3159af1a-82
0.239
ALE-HEI-f28a35b5-13
0.239
MAT-POS-2492181e-11
0.239
MAT-POS-b5746674-109
0.239
LON-WEI-4d77710c-16
0.239
LON-WEI-5e7d1b3e-16
0.239
AHN-SAT-de2502ba-13
0.238
MAR-TRE-a78003aa-26
0.238
MAR-TRE-6a44bbf2-83
0.238
MAR-TRE-3159af1a-88
0.237
PET-SGC-276eba5a-1
0.237
ALP-POS-d0876c20-22
0.236
ALP-POS-d0876c20-6
0.236
MAR-TRE-4b834d9a-64
0.235
BOG-INS-bdba9cfb-1
0.235
MAR-TRE-6c5ef77a-38
0.233
JOH-UNI-abdb2f0c-3
0.232
MAR-TRE-6c5ef77a-83
0.232
MAK-UNK-849bee6c-20
0.231
MAR-TRE-6a44bbf2-42
0.231
MAR-TRE-dab8f6ea-43
0.230
MAR-TRE-3159af1a-28
0.230
MAR-TRE-d0525fbf-99
0.229