Molecular Properties | |
SMILES: | CCNc1ccc(F)c(Cc2cc(NCC(=O)Nc3cccc(Cl)c3)ccc2Cl)n1 |
MW: | 447.341 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 66.05 |
cLogP: | 5.6007 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-VAN-ed886787-17
0.773
BEN-VAN-ed886787-15
0.727
BEN-VAN-ed886787-16
0.713
BEN-VAN-ed886787-19
0.670
BEN-VAN-ed886787-14
0.510
BEN-VAN-ed886787-13
0.510
BEN-VAN-ed886787-1
0.485
JOH-UNK-14e6adc5-5
0.485
BEN-VAN-c4cc60be-1
0.471
BEN-VAN-ed886787-3
0.471
BEN-VAN-ed886787-6
0.465
BEN-VAN-ed886787-20
0.465
BEN-VAN-ed886787-2
0.438
BEN-VAN-ed886787-9
0.438
BEN-VAN-ed886787-5
0.433
BEN-VAN-ed886787-7
0.433
BEN-VAN-ed886787-8
0.433
BEN-VAN-ed886787-10
0.390
BEN-VAN-ed886787-4
0.381
BEN-VAN-ed886787-12
0.381
EDJ-MED-49816e9b-1
0.355
BEN-VAN-ed886787-11
0.345
MIC-UNK-66895286-3
0.344
MIC-UNK-66895286-2
0.337
MIC-UNK-66895286-4
0.333
MIC-UNK-66895286-5
0.333
BEN-DND-61647d40-11
0.323
BEN-DND-61647d40-15
0.320
DAR-DIA-23aa0b97-12
0.317
BEN-DND-61647d40-16
0.317
JAG-UCB-252a2f58-1
0.312
JIN-POS-6dc588a4-1
0.310
BEN-DND-61647d40-13
0.310
BEN-DND-02317c5c-11
0.310
AAR-UNI-c25c2f1e-46
0.309
PET-UNK-8922bd3c-1
0.304
JAG-UCB-77729364-1
0.303
MAT-POS-bfb445d4-1
0.294
MAT-POS-3b92565d-14
0.294
BEN-DND-02317c5c-12
0.294
BEN-DND-61647d40-12
0.294
MAR-TRE-f5c2d31c-11
0.292
EDG-MED-0da5ad92-13
0.292
MIC-UNK-10ba69b4-2
0.291
BEN-DND-61647d40-14
0.288
MAR-TRE-74c6519b-62
0.279
MIC-UNK-8373f97b-1
0.278
MIC-UNK-10ba69b4-3
0.277
JAG-UCB-cedd89ab-8
0.276
TRY-UNI-714a760b-12
0.276
TRY-UNI-9f475305-11
0.275
MIC-UNK-10ba69b4-1
0.274
MAR-TRE-d0525fbf-58
0.274
MIC-UNK-8373f97b-3
0.270
JAG-UCB-1d922829-4
0.269
TRY-UNI-714a760b-9
0.267
MAR-TRE-f5c2d31c-36
0.267
JOR-UNI-2fc98d0b-7
0.266
DAR-DIA-23aa0b97-14
0.266
WAR-XCH-eb7b662f-7
0.266
JAN-GHE-83b26c96-19
0.266
BEN-DND-61647d40-20
0.265
EDG-MED-0da5ad92-12
0.263
MAR-TRE-3e4e6814-83
0.262
WIL-UNI-1faa9b10-8
0.262
NAU-LAT-4ce8bf23-3
0.259
SER-UNI-985a0e14-1
0.258
DAR-DIA-23aa0b97-13
0.258
MIC-UNK-66895286-1
0.258
EDG-MED-0da5ad92-2
0.258
SEA-TRI-5a552082-1
0.257
DAR-DIA-03336633-3
0.256
MAR-TRE-3e4e6814-40
0.256
JAG-UCB-ef2c0e8e-10
0.253
EDJ-MED-c8e7a002-16
0.252
ALP-POS-f13221e1-4
0.250
AAR-POS-fca48359-9
0.250
MAR-TRE-3159af1a-64
0.250
FAR-UNI-736b943a-7
0.250
EDJ-MED-49816e9b-5
0.250
MAR-TRE-6c5ef77a-24
0.250
JAN-GHE-5a013bed-9
0.250
RUB-POS-1325a9ea-4
0.248
EDJ-MED-6e43a462-12
0.248
SEA-TRI-6388eba6-1
0.248
ALP-POS-3b848b35-3
0.248
MAR-TRE-6a44bbf2-16
0.247
ABB-MCD-f549d731-1
0.246
JAN-GHE-d851b096-4
0.246
WIL-UNI-1faa9b10-31
0.245
LUI-IND-a1be81af-2
0.245
BEN-DND-1e24cf73-5
0.245
JAG-UCB-cedd89ab-7
0.245
AAR-UNI-c25c2f1e-40
0.245
JOH-UNI-c7afdb96-5
0.245
BEN-DND-61647d40-19
0.245
JAN-LUN-8953ce76-6
0.243
JAN-LUN-3e0f9c09-1
0.243
SEA-TRI-2dd971ce-1
0.243
BEN-DND-1e24cf73-3
0.243