Molecular Properties | |
SMILES: | O=C(CCl)c1ccc(N2CCCOCC2)cn1 |
MW: | 254.717 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 42.43 |
cLogP: | 1.7298 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
keto_def_heterocycle
Filter64_halo_ketone_sulfone
Ketone
JOH-UNI-abdb2f0c-1
0.562
AAR-POS-d2a4d1df-19
0.524
PET-SGC-6016d8e6-1
0.440
JOH-UNI-9dc98897-6
0.414
JOH-UNI-9dc98897-1
0.389
JOH-UNI-9dc98897-4
0.373
JOH-UNI-9dc98897-2
0.368
JOH-UNI-abdb2f0c-2
0.367
JOH-UNI-abdb2f0c-4
0.350
MAR-TRE-6a44bbf2-67
0.333
MAK-UNK-9955b1f3-14
0.304
JOH-UNI-9dc98897-9
0.303
JOH-UNI-9dc98897-3
0.299
JOH-UNI-9dc98897-8
0.291
NIM-UNI-310206f0-7
0.291
GIA-UNK-30c7cb75-5
0.287
JOH-UNI-9dc98897-7
0.287
JOH-UNI-522b0723-10
0.287
GIA-UNK-30c7cb75-2
0.276
MAR-TRE-dab8f6ea-41
0.276
MAR-TRE-f5c2d31c-35
0.276
JOH-UNI-9dc98897-10
0.275
JOH-UNI-9dc98897-5
0.275
MAR-TRE-dab8f6ea-37
0.273
BAR-COM-4e090d3a-58
0.270
MAR-TRE-f5c2d31c-96
0.269
JOO-IND-3132366c-1
0.269
JOH-UNI-27ac80fd-4
0.267
MAR-TRE-f5c2d31c-81
0.266
MIH-UNI-e573136b-6
0.264
MAR-TRE-f5c2d31c-13
0.263
MAK-UNK-f983951f-21
0.262
ALP-POS-8ed8d9ec-6
0.260
CHO-MSK-00c5269a-4
0.260
BAR-COM-0f94fc3d-33
0.258
MAR-TRE-f5c2d31c-74
0.258
MAR-TRE-f5c2d31c-52
0.258
JOH-UNI-27ac80fd-19
0.257
ASH-UNK-40b46b30-15
0.257
AAR-POS-0daf6b7e-18
0.257
MAR-TRE-fd17a9b8-85
0.255
MAR-TRE-f5c2d31c-36
0.255
MAR-TRE-f5c2d31c-42
0.255
ALP-POS-8ed8d9ec-12
0.255
MAR-TRE-f5c2d31c-38
0.253
ALP-POS-6d04362c-5
0.253
MAR-TRE-dab8f6ea-19
0.250
GIA-UNK-20b63697-2
0.250
MAR-TRE-6a44bbf2-34
0.250
WIL-NOV-649f4ed0-2
0.250
TAT-ENA-80bfd3e5-27
0.250
LYN-UNI-0d9431a4-3
0.250
MAT-POS-162a9720-4
0.250
WIL-NOV-649f4ed0-5
0.250
ALP-POS-a3de0cb1-12
0.250
LYN-UNI-b265e4fd-4
0.250
LYN-UNI-7bb260d6-10
0.250
MAR-TRE-f5c2d31c-99
0.247
MAR-TRE-9c797165-69
0.247
MAK-UNK-748f8b7a-11
0.247
ALP-POS-bad7201a-6
0.245
ALP-POS-bad7201a-8
0.245
ALP-POS-c0c213c9-16
0.245
MAR-TRE-9c797165-58
0.244
PET-SGC-cb83a00c-1
0.244
MAR-TRE-67513f76-86
0.244
MAK-UNK-9955b1f3-15
0.244
JOH-UNI-27ac80fd-17
0.243
ALP-POS-a3de0cb1-11
0.243
MAR-TRE-f5c2d31c-18
0.242
MAR-TRE-f5c2d31c-20
0.242
AUS-WAB-916db9c0-2
0.242
MAR-TRE-dab8f6ea-31
0.242
ALP-POS-6d04362c-4
0.240
MAR-TRE-f5c2d31c-70
0.240
MAR-TRE-fd17a9b8-49
0.240
MAK-UNK-69bf97dd-5
0.240
MAR-TRE-3159af1a-17
0.239
SAD-SAT-6b5a89f0-2
0.238
SAD-SAT-65574d3f-8
0.238
AHN-SAT-de2502ba-12
0.238
MAR-TRE-9c797165-83
0.238
JOH-UNI-27ac80fd-8
0.238
MAR-TRE-6a44bbf2-20
0.238
MAT-POS-162a9720-5
0.237
MAR-TRE-dab8f6ea-45
0.236
MAR-TRE-67513f76-60
0.236
ALP-POS-c0c213c9-12
0.235
MAR-TRE-6a44bbf2-83
0.235
AHN-SAT-de2502ba-13
0.235
MAR-TRE-f5c2d31c-63
0.235
MAR-TRE-f5c2d31c-83
0.235
GIA-UNK-30c7cb75-4
0.235
GIA-UNK-30c7cb75-1
0.234
MAK-UNK-5d2caa6f-5
0.233
BOG-INS-bdba9cfb-1
0.233
MAR-TRE-f5c2d31c-85
0.233
ALP-POS-bad7201a-1
0.233
MAR-TRE-4b834d9a-64
0.233
MAR-TRE-f5c2d31c-22
0.232