Molecular Properties | |
SMILES: | CNC(COC(C)C)OCCN(C(=O)C1CCSc2ccc(Cl)cc21)c1cccnc1 |
MW: | 463.17 |
Fraction sp3: | 0.48 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 63.69 |
cLogP: | 4.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_acetal
het-C-het not in ring
Long aliphatic chain
JAG-UCB-a3ef7265-20
MAK-UNK-d508046f-17
0.828
MAK-UNK-d508046f-16
0.726
MAK-UNK-d508046f-6
0.722
MAK-UNK-d508046f-15
0.707
MAK-UNK-d508046f-20
0.699
MAK-UNK-d508046f-2
0.683
MAK-UNK-d508046f-18
0.677
MAK-UNK-d508046f-5
0.673
MAK-UNK-d508046f-8
0.653
MAK-UNK-d508046f-11
0.650
MAK-UNK-d508046f-14
0.640
MAK-UNK-d508046f-1
0.640
MAK-UNK-d508046f-13
0.634
MAK-UNK-d508046f-9
0.631
MAK-UNK-d508046f-4
0.631
MAK-UNK-d508046f-19
0.627
MAK-UNK-d508046f-3
0.624
MAK-UNK-d508046f-12
0.593
MAK-UNK-d508046f-10
0.582
MAT-POS-78e1d523-1
0.351
JAN-GHE-83b26c96-16
0.302
MAK-UNK-8fdbca50-30
0.299
JOR-UNI-2fc98d0b-8
0.286
THO-SYG-f9b2970d-8
0.281
KEI-TRE-d5e2018a-76
0.281
JOR-UNI-2fc98d0b-12
0.280
MAK-UNK-8fdbca50-27
0.277
THO-SYG-f9b2970d-3
0.276
KEI-TRE-d5e2018a-19
0.274
MAK-UNK-8fdbca50-16
0.271
THO-SYG-f9b2970d-4
0.270
ADA-UNI-f8e79267-10
0.270
KEI-TRE-d5e2018a-47
0.270
MAK-UNK-8fdbca50-13
0.269
JOR-UNI-2fc98d0b-15
0.268
THO-SYG-f9b2970d-7
0.268
MAK-UNK-8fdbca50-28
0.268
KEI-TRE-d5e2018a-16
0.267
JOR-UNI-2fc98d0b-17
0.267
MAK-UNK-8fdbca50-14
0.264
MAK-UNK-8fdbca50-26
0.264
MAK-UNK-8fdbca50-39
0.264
EDJ-MED-28b38b9b-2
0.263
JOR-UNI-2fc98d0b-2
0.263
JOR-UNI-2fc98d0b-14
0.262
JOR-UNI-2fc98d0b-13
0.262
JOR-UNI-2fc98d0b-16
0.261
MAK-UNK-8fdbca50-12
0.257
SIM-SYN-a98e6a07-2
0.257
JOR-UNI-2fc98d0b-11
0.256
JOR-UNI-2fc98d0b-3
0.256
JOR-UNI-2fc98d0b-5
0.256
RAL-THA-9041a04d-4
0.256
MAT-POS-a54ce14d-1
0.256
JOH-UNI-21fd6073-3
0.256
MAK-UNK-8fdbca50-31
0.255
SEA-TRI-8ad086cf-1
0.254
KEI-TRE-d5e2018a-39
0.254
KEI-TRE-d5e2018a-99
0.252
MAR-TRE-67513f76-32
0.252
EDJ-MED-28b38b9b-3
0.252
MAK-UNK-8fdbca50-19
0.252
MAK-UNK-8fdbca50-18
0.252
THO-SYG-f9b2970d-6
0.250
ADA-UNI-f8e79267-7
0.250
MIC-UNK-8686cf1d-3
0.250
MIC-UNK-8686cf1d-4
0.250
MAK-UNK-8fdbca50-34
0.250
MAK-UNK-8fdbca50-1
0.250
MAK-UNK-8fdbca50-5
0.250
SIM-SYN-a98e6a07-3
0.250
MAK-UNK-8fdbca50-15
0.248
MAR-TRE-4b834d9a-79
0.248
MED-UNK-e6e8ef8a-1
0.248
MAK-UNK-8fdbca50-3
0.247
RAL-THA-3d7a794f-2
0.246
RAL-THA-3d7a794f-3
0.246
KEI-TRE-d5e2018a-54
0.246
MAR-TRE-04c86cea-17
0.246
CHR-SOS-7098f804-11
0.245
JUL-TUD-06b2044f-90
0.244
RYA-UNI-f4a878f6-1
0.244
THO-SYG-f9b2970d-1
0.244
MIC-SGC-657978c3-7
0.243
MAK-UNK-8fdbca50-40
0.243
EMI-TUK-b780fc43-2
0.243
ALP-POS-1245c3fa-2
0.243
DAR-DIA-5ff57136-13
0.242
DAR-DIA-43a5904b-14
0.242
JOR-UNI-2fc98d0b-10
0.242
JOR-UNI-2fc98d0b-6
0.242
ERI-UCB-ce40166b-23
0.242
MAK-UNK-8fdbca50-11
0.242
ADA-UNI-f8e79267-11
0.241
ADA-UNI-f8e79267-12
0.241
MED-UNK-e6e8ef8a-4
0.241
MIC-UNK-8686cf1d-9
0.241
CHR-SOS-7098f804-12
0.240
LON-WEI-adc59df6-66
0.240
DAR-DIA-43a5904b-13
0.240