Molecular Properties | |
SMILES: | Cc1ccc(Oc2cc(O)ccc2N(C)c2cc(S(N)(=O)=O)ncn2)c(CN2CCN(C(=O)CCl)CC2)c1 |
MW: | 561.064 |
Fraction sp3: | 0.32 |
HBA: | 9 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 142.19 |
cLogP: | 2.58122 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
NEH-REV-107bcf72-5
0.378
STU-CHA-464c0256-1
0.357
STU-CHA-0f79177c-1
0.351
SAD-SAT-65574d3f-10
0.350
SAD-SAT-581007d4-4
0.346
MIH-UNI-e573136b-5
0.340
DAR-DIA-fb20be43-9
0.336
MIH-UNI-e573136b-4
0.330
MED-COV-4280ac29-37
0.330
MAK-UNK-7c9d1431-20
0.327
AAR-POS-d2a4d1df-24
0.327
MAK-UNK-af83ef51-14
0.325
DAR-DIA-fb20be43-12
0.325
SAD-SAT-5b1897b2-5
0.324
TAM-UNI-d1c3dd9f-4
0.322
DAR-DIA-fb20be43-5
0.321
DRR-IMP-38dce17f-8
0.321
SAD-SAT-bc31ec01-1
0.320
MAK-UNK-af83ef51-17
0.320
STU-CHA-6d5cfe2b-1
0.319
DAR-DIA-fb20be43-4
0.315
BRU-LEF-ae0885ba-1
0.315
PAU-UNI-52c0427f-1
0.315
SEL-UNI-cd366922-7
0.315
MAK-UNK-e4a48a85-26
0.313
NEH-REV-107bcf72-3
0.312
MAK-UNK-af83ef51-15
0.309
SAD-SAT-581007d4-3
0.308
JOK-SYG-302da050-2
0.305
MAK-UNK-10dfa458-38
0.305
MAR-LAB-ca4662a6-2
0.304
STE-UNK-13e151dd-1
0.304
MAK-UNK-af83ef51-16
0.301
JIA-UNI-93b03cae-1
0.301
JOH-UNI-27ac80fd-39
0.301
DAR-DIA-fb20be43-1
0.301
DAR-DIA-fb20be43-18
0.301
MAK-UNK-849bee6c-2
0.301
JOH-UNI-27ac80fd-38
0.300
MAK-UNK-849bee6c-1
0.298
DAR-DIA-fb20be43-7
0.298
AAR-POS-d2a4d1df-41
0.296
MED-COV-4280ac29-31
0.296
AAR-POS-d2a4d1df-40
0.296
TAT-ENA-80bfd3e5-20
0.296
LON-WEI-8f408cad-5
0.294
AAR-POS-0daf6b7e-17
0.294
SEL-UNI-cd366922-6
0.294
DAV-CRI-d1e0885a-2
0.293
TAM-UNI-d1c3dd9f-13
0.293
MAK-UNK-7c9d1431-29
0.293
MAK-UNK-7c9d1431-21
0.292
TAM-UNI-d1c3dd9f-20
0.292
STU-CHA-6cae54d3-1
0.292
TAM-UNI-d1c3dd9f-14
0.291
JOK-SYG-18591e8f-1
0.290
WAR-XCH-79d12f6e-6
0.290
AAR-POS-0daf6b7e-3
0.290
MAR-TRE-6a44bbf2-13
0.290
RHE-UNK-eb059eb9-1
0.290
AAR-POS-d2a4d1df-36
0.290
TAM-UNI-d1c3dd9f-18
0.289
TAM-UNI-d1c3dd9f-17
0.289
DAV-UNK-07f953a2-1
0.289
SAD-SAT-581007d4-2
0.288
TAM-UNI-d1c3dd9f-9
0.288
DUN-NEW-f8ce3686-2
0.288
MAK-UNK-849bee6c-15
0.288
DAV-CRI-d1e0885a-3
0.287
MAK-UNK-849bee6c-14
0.286
MAK-UNK-e4a48a85-27
0.283
MAK-UNK-e4a48a85-22
0.283
TAM-UNI-d1c3dd9f-5
0.282
MAK-UNK-e4a48a85-21
0.282
DRR-IMP-38dce17f-5
0.282
BOG-INS-0b2b845a-1
0.281
MAK-UNK-849bee6c-12
0.281
NIM-UNI-bb610069-3
0.281
NIM-UNI-594fbbb6-3
0.281
NIM-UNI-310206f0-15
0.280
MAK-UNK-849bee6c-13
0.280
MAK-UNK-849bee6c-19
0.280
DAR-DIA-fb20be43-17
0.280
DAR-DIA-fb20be43-14
0.280
STU-CHA-5350f95a-1
0.280
MED-COV-4280ac29-19
0.280
BOG-INS-bdba9cfb-1
0.279
DRR-IMP-38dce17f-4
0.279
JOH-UNI-0e1753c1-3
0.279
AAR-POS-0daf6b7e-12
0.279
JOH-UNI-27ac80fd-23
0.279
HYO-UNK-49a60884-1
0.279
MED-COV-4280ac29-15
0.279
AAR-POS-d2a4d1df-35
0.279
MAK-UNK-849bee6c-5
0.279
MAK-UNK-176ca439-2
0.279
MED-COV-4280ac29-8
0.278
MED-COV-4280ac29-35
0.278
MAK-UNK-af83ef51-27
0.278
DRR-IMP-38dce17f-6
0.277