Molecular Properties | |
SMILES: | O=C(Cc1cnccc1CCNC(=O)NC1CCCCC1)Nc1ccccc1 |
MW: | 380.492 |
Fraction sp3: | 0.41 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 83.12 |
cLogP: | 3.4372 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
HAN-NEW-5f56c3bc-3
0.616
DAR-DIA-03336633-1
0.616
DAR-DIA-03336633-7
0.591
LON-WEI-af038623-1
0.590
PET-SGC-c429dc17-1
0.554
CES-WAB-18e74d70-1
0.554
DAR-DIA-03336633-15
0.553
DAR-DIA-03336633-5
0.516
DAR-DIA-03336633-4
0.490
DAR-DIA-03336633-3
0.490
DAR-DIA-03336633-6
0.480
MAK-UNK-f2409524-35
0.477
AAR-POS-d2a4d1df-12
0.468
MAK-UNK-f2409524-15
0.457
MAK-UNK-f2409524-36
0.444
MAK-UNK-f2409524-16
0.430
MAK-UNK-f2409524-33
0.404
MAK-UNK-f2409524-18
0.396
ALE-HEI-f28a35b5-8
0.390
SIM-SYN-a98e6a07-4
0.388
MAK-UNK-f2409524-17
0.384
PET-SGC-a9e9d4f4-1
0.381
MAK-UNK-f2409524-31
0.380
MAK-UNK-f2409524-32
0.375
AAR-UNI-c25c2f1e-3
0.362
DAR-DIA-03336633-11
0.356
MAK-UNK-f2409524-34
0.352
NIM-UNI-363644a0-2
0.351
MAK-UNK-f2409524-14
0.350
TRY-UNI-714a760b-11
0.349
ALE-HEI-f28a35b5-7
0.349
MAK-UNK-f2409524-27
0.347
DAR-DIA-23aa0b97-20
0.341
DAR-DIA-03336633-13
0.340
AAR-UNI-c25c2f1e-45
0.337
MAK-UNK-f2409524-3
0.337
GIA-UNK-3f36037a-7
0.333
DAR-DIA-03336633-9
0.330
MAK-UNK-f2409524-2
0.327
MAK-UNK-f2409524-4
0.327
SIM-SYN-a98e6a07-2
0.323
ZAC-WAB-b0242612-1
0.321
CHA-KIN-ceadbd93-3
0.319
AAR-UNI-c25c2f1e-96
0.316
SIM-DEM-1d7050d3-1
0.310
MAK-UNK-f2409524-19
0.310
CHR-SOS-f7373dd1-1
0.309
MAK-UNK-f2409524-7
0.308
SIM-DEM-2843056b-4
0.308
MAR-LAB-efb042c5-2
0.304
MAK-UNK-f2409524-37
0.303
MAK-UNK-f2409524-21
0.302
SIM-DEM-2843056b-2
0.302
CHR-SOS-f7373dd1-4
0.301
WIL-UNI-5578df48-11
0.301
MAK-UNK-f2409524-30
0.301
DAR-DIA-03336633-10
0.299
MAK-UNK-f2409524-28
0.299
CHA-KIN-ceadbd93-6
0.297
MAK-UNK-129dcd6f-6
0.297
MAK-UNK-b2c98f02-4
0.296
MAK-UNK-b2c98f02-2
0.296
MAK-UNK-f2409524-20
0.296
CHA-KIN-ceadbd93-2
0.293
SAD-SAT-6b5a89f0-8
0.293
MAR-TRE-7f7bb9f0-68
0.293
MAK-UNK-b2c98f02-3
0.292
FRA-FAC-9ed5a63a-1
0.292
ALE-HEI-f28a35b5-9
0.292
AAR-POS-d2a4d1df-13
0.292
MAK-UNK-f2409524-1
0.291
MAK-UNK-f2409524-26
0.291
DAR-DIA-03336633-8
0.290
MAK-UNK-b2c98f02-5
0.290
CUN-WAB-25b584ee-2
0.289
MAR-TRE-3e4e6814-62
0.289
AAR-UNI-c25c2f1e-69
0.288
MAR-TRE-3e4e6814-82
0.286
MAK-UNK-d1e89583-8
0.284
TRY-UNI-714a760b-4
0.284
ALE-HEI-f28a35b5-1
0.284
TAM-UNI-c140e31a-2
0.283
WIL-UNI-5578df48-17
0.283
TRY-UNI-714a760b-7
0.283
ERI-UCB-ce40166b-1
0.282
AAR-UNI-c25c2f1e-52
0.282
MAK-UNK-c749d764-13
0.281
PET-SGC-f913cec9-1
0.281
CHA-KIN-6d173bb5-2
0.281
MED-UNK-e6e8ef8a-4
0.280
GIA-UNK-3f36037a-4
0.279
SAN-PRS-52b81272-2
0.279
DAR-DIA-23aa0b97-18
0.279
AAR-UNI-c25c2f1e-71
0.278
MAR-TRE-4f781e27-49
0.278
MAK-UNK-129dcd6f-7
0.277
AAR-POS-d2a4d1df-11
0.277
EDJ-MED-49816e9b-1
0.277
LIL-FNM-e1865f24-1
0.277
MAR-TRE-3159af1a-49
0.276