Molecular Properties | |
SMILES: | CC(C)CCC1(OCCN(C(=O)C2CCSc3ccc(Cl)cc32)c2cccnc2)CCCOC1 |
MW: | 502.21 |
Fraction sp3: | 0.56 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 9 |
TPSA: | 51.66 |
cLogP: | 6.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
JAG-UCB-a3ef7265-20
MAK-UNK-d508046f-17
0.644
MAK-UNK-d508046f-14
0.630
MAK-UNK-d508046f-18
0.618
MAK-UNK-d508046f-20
0.598
MAK-UNK-d508046f-9
0.593
MAK-UNK-d508046f-7
0.593
MAK-UNK-d508046f-5
0.590
MAK-UNK-d508046f-15
0.588
MAK-UNK-d508046f-16
0.586
MAK-UNK-d508046f-6
0.584
MAK-UNK-d508046f-11
0.583
MAK-UNK-d508046f-13
0.580
MAK-UNK-d508046f-19
0.575
MAK-UNK-d508046f-2
0.571
MAK-UNK-d508046f-8
0.570
MAK-UNK-d508046f-4
0.569
MAK-UNK-d508046f-1
0.565
MAK-UNK-d508046f-3
0.562
MAK-UNK-d508046f-10
0.550
MAT-POS-78e1d523-1
0.317
BEN-BAS-edf2ae6d-1
0.298
EDJ-MED-51d3200d-3
0.267
THO-SYG-f9b2970d-8
0.265
BEN-BAS-bba3cb69-1
0.264
JAN-GHE-83b26c96-16
0.261
THO-SYG-f9b2970d-4
0.254
RAL-THA-9041a04d-4
0.252
MAT-POS-a54ce14d-1
0.252
THO-SYG-f9b2970d-3
0.250
ALP-POS-902f21bb-2
0.248
MAR-UCB-fd2e172f-36
0.245
MAT-UNK-35705829-1
0.243
RAL-THA-3d7a794f-2
0.242
RAL-THA-3d7a794f-3
0.242
MAK-UNK-8fdbca50-16
0.242
MAK-UNK-8fdbca50-30
0.242
JOH-UNI-ededfdb6-1
0.241
JUL-TUD-06b2044f-90
0.241
SEA-TRI-8ad086cf-1
0.241
ALP-POS-1460fd94-1
0.240
EMI-TUK-b780fc43-2
0.239
MAT-POS-22373164-1
0.239
BEN-DND-32596b04-4
0.238
EDG-MED-ee636701-4
0.238
JOR-UNI-2fc98d0b-2
0.238
JOH-UNI-ededfdb6-5
0.238
EDG-MED-e300b289-2
0.238
MAT-POS-dc2604c4-2
0.237
EDJ-MED-c82a5324-2
0.236
MAT-POS-b4d6b7fc-3
0.235
JOH-UNI-ededfdb6-8
0.235
EDG-MED-ee636701-3
0.234
DAR-DIA-6a508060-16
0.234
ED_-GRI-5b13fbe2-48
0.233
PET-UNK-3bb57da2-4
0.233
JOH-UNI-ededfdb6-7
0.233
EDJ-MED-e69ed63d-1
0.233
MIC-UNK-51049f1a-4
0.233
MAT-UNK-f490e871-1
0.233
MAT-UNK-04ae9652-1
0.233
BRU-THA-92256091-56
0.233
RAL-THA-3d7a794f-4
0.233
MIC-UNK-ea4eb352-4
0.232
MAT-POS-5369c344-6
0.232
JOH-UNI-6b98e24c-1
0.231
EDJ-MED-43f8f7d6-3
0.231
RAL-THA-a9c31980-3
0.231
EDJ-MED-7889e8da-3
0.231
ADA-UCB-dc2b944c-6
0.231
MAT-POS-5cd9ea36-6
0.231
MAT-POS-bf364d7a-9
0.231
DAR-DIA-6a508060-14
0.231
JAG-UCB-571deb56-5
0.231
MAT-POS-bf364d7a-10
0.231
EDJ-MED-0186a59b-2
0.231
NAU-LAT-b7d8c353-5
0.230
RAL-THA-b74298ba-4
0.230
MAT-POS-4223bc15-22
0.229
MAT-POS-4223bc15-24
0.229
MAT-POS-b3e365b9-4
0.229
BRU-CON-c4e3408a-1
0.229
DAR-DIA-6a508060-6
0.229
JAN-GHE-f4ca5a00-13
0.229
MAT-POS-b3e365b9-3
0.229
MAT-POS-5cd9ea36-22
0.229
EDJ-MED-009f762b-2
0.229
MAT-POS-24589f88-5
0.229
EDJ-MED-e69ed63d-2
0.229
ALF-EVA-ced740bd-1
0.229
MIC-UNK-b904ca85-4
0.229
JOR-UNI-2fc98d0b-8
0.228
EDJ-MED-c82a5324-3
0.228
EDG-MED-e300b289-3
0.228
EDJ-MED-c99b2211-1
0.228
THO-SYG-f9b2970d-6
0.228
BEN-DND-4f474d93-2
0.228
ALP-POS-ce760d3f-3
0.228
RAL-THA-9041a04d-6
0.228
MAT-POS-22373164-3
0.228
MAT-POS-4223bc15-28
0.228