Molecular Properties | |
SMILES: | O=C(Cc1ccccc1)Nc1c[nH]c2nccc(NC(=O)NC3CCCCC3)c12 |
MW: | 391.475 |
Fraction sp3: | 0.32 |
HBA: | 3 |
HBD: | 4 |
Rotatable Bonds: | 5 |
TPSA: | 98.91 |
cLogP: | 4.1983 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-03336633-14
0.691
DAR-DIA-03336633-12
0.505
DAR-DIA-03336633-7
0.474
SIM-DEM-1d7050d3-1
0.409
ALE-HEI-f28a35b5-7
0.381
TRY-UNI-714a760b-11
0.381
ALE-HEI-f28a35b5-8
0.373
TRY-UNI-714a760b-5
0.357
LON-WEI-5e7d1b3e-27
0.351
LON-WEI-4d77710c-27
0.351
MAK-UNK-a7b37c5e-3
0.345
DAR-DIA-03336633-2
0.340
HAN-NEW-5f56c3bc-3
0.337
DAR-DIA-03336633-1
0.337
TRY-UNI-714a760b-7
0.326
SAN-PRS-52b81272-2
0.325
ZAC-WAB-b0242612-1
0.321
MAK-UNK-f2409524-7
0.320
DAR-DIA-03336633-9
0.317
MAK-UNK-f2409524-35
0.312
RAL-THA-2d450e86-1
0.311
AAR-UNI-c25c2f1e-3
0.306
TRY-UNI-714a760b-2
0.303
AAR-POS-d2a4d1df-12
0.303
CES-WAB-18e74d70-1
0.303
PET-SGC-c429dc17-1
0.303
NIC-BIO-25446079-1
0.302
RAL-MED-2de63afb-6
0.302
MAR-TRE-f6f5f473-89
0.302
DAR-DIA-03336633-5
0.302
DAR-DIA-03336633-10
0.299
MAT-POS-b5746674-105
0.297
MAK-UNK-f2409524-19
0.297
MAK-UNK-f2409524-20
0.296
DAR-DIA-03336633-6
0.295
AAR-UNI-c25c2f1e-38
0.294
NIC-BIO-25446079-3
0.293
MAK-UNK-f2409524-31
0.290
DAR-DIA-03336633-8
0.290
MAK-UNK-b2c98f02-1
0.290
MAK-UNK-b2c98f02-5
0.290
MIC-SGC-657978c3-1
0.289
MAK-UNK-f2409524-15
0.288
MAK-UNK-f2409524-18
0.288
MAK-UNK-f2409524-6
0.287
MAK-UNK-f2409524-33
0.287
NIC-UNI-f08e2453-2
0.286
MAK-UNK-b2c98f02-2
0.284
MIC-SGC-657978c3-7
0.281
DAR-DIA-03336633-3
0.281
NIC-BIO-3276ca7f-4
0.279
MAR-LAB-efb042c5-2
0.279
MAK-UNK-f2409524-36
0.279
MAK-UNK-f2409524-16
0.277
MAR-TRE-14ce9fd6-1
0.276
SIM-DEM-2843056b-6
0.275
DAR-DIA-03336633-4
0.274
DAR-DIA-0cde14eb-78
0.273
MAR-TRE-f6f5f473-82
0.273
MAR-TRE-3159af1a-41
0.272
SIM-DEM-2843056b-4
0.271
LON-WEI-af038623-1
0.269
MAK-UNK-f2409524-27
0.269
SWA-SYN-6423ea73-10
0.269
SWA-SYN-d2e6fa14-9
0.269
NIC-BIO-f814dd3d-1
0.268
ANT-DIA-3c79be55-1
0.267
BRU-THA-40a53a3c-1
0.267
SIM-DEM-2843056b-2
0.266
MAK-UNK-f2409524-32
0.265
CHR-SOS-59746812-5
0.265
MAK-UNK-f2409524-2
0.264
MAK-UNK-f2409524-28
0.264
CHA-KIN-ceadbd93-3
0.263
NAU-LAT-3f5f3993-2
0.263
JIN-POS-6dc588a4-19
0.263
MAT-POS-bb423b95-6
0.263
JOH-UNI-6fede743-3
0.263
PET-SGC-a9e9d4f4-1
0.261
FRA-FAC-9ed5a63a-3
0.261
MAR-TRE-f6f5f473-80
0.260
MAR-TRE-3159af1a-76
0.260
MAT-POS-b5746674-97
0.259
COM-UCB-1ef4e90e-20
0.259
LON-WEI-5e7d1b3e-46
0.259
LON-WEI-4d77710c-46
0.259
MAR-TRE-f6f5f473-70
0.259
MAK-UNK-f2409524-34
0.259
MAK-UNK-f2409524-3
0.257
MAT-POS-bb423b95-3
0.257
ALP-POS-95b75b4d-4
0.257
ALP-POS-0c2c77e1-1
0.257
MAR-TRE-9c797165-24
0.257
MAR-TRE-fd17a9b8-96
0.257
MAR-TRE-f6f5f473-35
0.257
MAD-UNK-3bd48932-1
0.257
MAD-UNK-d7ec037c-3
0.257
MAD-UNK-4169353f-1
0.257
MAD-UNK-d7ec037c-1
0.257
MAD-UNK-1cc096ab-1
0.257