Molecular Properties | |
SMILES: | Cc1nc(NCCNS(=O)(=O)c2ccc(F)cc2F)cc(N2CCOCC2)n1 |
MW: | 413.13 |
Fraction sp3: | 0.41 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 96.45 |
cLogP: | 1.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6751640180 |
MolPort: | MolPort-020-181-720 |
Aliphatic long chain
Activated haloaromatics
Hetero_hetero
MAR-TRE-f5c2d31c-43
0.740
MAR-TRE-f5c2d31c-25
0.701
MAR-TRE-f5c2d31c-12
0.662
MAR-TRE-f5c2d31c-34
0.633
MAR-TRE-f5c2d31c-27
0.586
MAR-TRE-f5c2d31c-7
0.506
MAR-TRE-fd17a9b8-72
0.506
MAR-TRE-f5c2d31c-28
0.500
MAR-TRE-f5c2d31c-54
0.500
MAR-TRE-f5c2d31c-9
0.473
MAR-TRE-f5c2d31c-11
0.468
MAR-TRE-f5c2d31c-19
0.467
MAR-TRE-f5c2d31c-37
0.467
MAR-TRE-f5c2d31c-33
0.464
MAR-TRE-f5c2d31c-57
0.462
MAR-TRE-f5c2d31c-29
0.457
MAR-TRE-f5c2d31c-39
0.454
MAR-TRE-f5c2d31c-22
0.453
MAR-TRE-f5c2d31c-66
0.453
MAR-TRE-f5c2d31c-79
0.327
MAR-TRE-f5c2d31c-85
0.324
MAR-TRE-f5c2d31c-20
0.324
MAR-TRE-f5c2d31c-38
0.324
MAR-TRE-fd17a9b8-49
0.321
MAR-TRE-f5c2d31c-70
0.321
MAR-TRE-f5c2d31c-13
0.318
MAR-TRE-f5c2d31c-42
0.311
MAR-TRE-f5c2d31c-81
0.311
MAR-TRE-fd17a9b8-85
0.301
MAR-TRE-f5c2d31c-96
0.301
MAR-TRE-f5c2d31c-18
0.299
MAR-TRE-f5c2d31c-35
0.294
MAR-TRE-f5c2d31c-99
0.292
MAR-TRE-f5c2d31c-83
0.291
MAR-TRE-f5c2d31c-52
0.290
MAR-TRE-f5c2d31c-74
0.290
MAR-TRE-f5c2d31c-36
0.287
MAR-TRE-f5c2d31c-63
0.279
WIL-NOV-649f4ed0-2
0.260
ALP-POS-305f6ec3-22
0.250
MAR-TRE-9c797165-83
0.250
MAR-TRE-6a44bbf2-67
0.247
ALP-POS-95f71980-19
0.244
MAR-TRE-dab8f6ea-42
0.243
MAR-TRE-dab8f6ea-33
0.243
ALP-POS-d0876c20-22
0.243
ALP-POS-d0876c20-6
0.243
ALP-POS-d0876c20-12
0.242
MAR-TRE-67513f76-86
0.242
MAR-TRE-3159af1a-17
0.238
MAR-TRE-67513f76-60
0.235
WIL-NOV-649f4ed0-5
0.235
AHN-SAT-de2502ba-13
0.235
MAR-TRE-6a44bbf2-83
0.235
JOH-UNI-9dc98897-3
0.234
WIL-UNI-1faa9b10-29
0.234
WIL-UNI-1faa9b10-45
0.232
MAT-POS-b5746674-126
0.231
BAR-COM-0f94fc3d-33
0.231
WIL-NOV-649f4ed0-1
0.231
NIM-UNI-310206f0-7
0.229
MAR-TRE-9c797165-32
0.229
IND-SYN-8bc6954a-2
0.228
MAR-TRE-6a44bbf2-42
0.228
STU-CHA-6d5cfe2b-1
0.227
AHN-SAT-de2502ba-9
0.224
AHN-SAT-de2502ba-4
0.224
MAR-TRE-6a44bbf2-100
0.224
TAT-ENA-80bfd3e5-27
0.224
BOG-INS-bdba9cfb-1
0.222
MAK-UNK-be5ffcbc-7
0.222
MAK-UNK-10799360-10
0.220
KAT-UNK-b2a0d5b1-1
0.219
MAR-TRE-9c797165-69
0.219
MAR-TRE-3159af1a-71
0.218
BEN-DND-76ad4ac9-10
0.218
BEN-DND-03406596-6
0.218
MAR-TRE-9c797165-58
0.218
STU-CHA-128b80be-1
0.217
JAR-KUA-8c13982c-2
0.217
BAR-COM-4e090d3a-58
0.217
JOH-UNI-9dc98897-10
0.216
MAR-TRE-d0525fbf-99
0.216
MAR-TRE-3159af1a-82
0.216
ANT-DIA-b7f58f21-9
0.215
STU-CHA-128b80be-2
0.214
BEN-VAN-77cef4f8-10
0.213
AHN-SAT-de2502ba-12
0.212
MAR-TRE-6a44bbf2-20
0.212
SAD-SAT-65574d3f-8
0.212
UNK-UNK-2ede4078-82
0.212
MAR-TRE-3159af1a-95
0.210
JOE-SYG-2c9a1216-3
0.210
MAK-UNK-0b1cbb06-1
0.210
KEI-TRE-d5e2018a-13
0.209
SCO-VAN-260d9628-4
0.209
JOH-UNI-9dc98897-1
0.208
MAK-UNK-3e0761f8-10
0.208
MAR-TRE-4b834d9a-64
0.208
JOH-UNI-522b0723-10
0.208