Molecular Properties | |
SMILES: | O=C(Cc1ccccc1)Nc1cnccc1CCNC(=O)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: | ✗ |
PET-SGC-c429dc17-1
0.701
CES-WAB-18e74d70-1
0.701
DAR-DIA-03336633-1
0.699
HAN-NEW-5f56c3bc-3
0.699
DAR-DIA-03336633-5
0.687
DAR-DIA-03336633-6
0.633
DAR-DIA-03336633-9
0.598
DAR-DIA-03336633-3
0.591
DAR-DIA-03336633-2
0.591
MAK-UNK-f2409524-35
0.581
DAR-DIA-03336633-4
0.573
DAR-DIA-03336633-10
0.567
DAR-DIA-03336633-8
0.556
MAK-UNK-f2409524-15
0.545
LON-WEI-af038623-1
0.506
MAK-UNK-f2409524-36
0.505
AAR-POS-d2a4d1df-12
0.475
DAR-DIA-03336633-13
0.474
MAK-UNK-f2409524-32
0.436
TRY-UNI-714a760b-5
0.432
SIM-DEM-1d7050d3-1
0.430
MAK-UNK-f2409524-27
0.426
MAK-UNK-f2409524-33
0.424
MAK-UNK-f2409524-34
0.423
MAK-UNK-f2409524-16
0.408
DAR-DIA-03336633-11
0.404
MAK-UNK-f2409524-18
0.402
MAK-UNK-f2409524-2
0.402
MAK-UNK-f2409524-17
0.402
MAK-UNK-f2409524-31
0.400
ALE-HEI-f28a35b5-7
0.388
TRY-UNI-714a760b-11
0.388
DAR-DIA-03336633-14
0.376
CHA-KIN-ceadbd93-2
0.375
PET-SGC-a9e9d4f4-1
0.374
CHA-KIN-ceadbd93-3
0.371
WIL-UNI-5578df48-11
0.367
NIM-UNI-363644a0-2
0.366
MAK-UNK-b2c98f02-2
0.365
ALE-HEI-f28a35b5-8
0.365
MAK-UNK-f2409524-1
0.364
MAK-UNK-f2409524-26
0.364
CHA-KIN-ceadbd93-6
0.357
MAK-UNK-f2409524-28
0.356
SAN-PRS-52b81272-2
0.349
RAL-THA-2d450e86-1
0.348
MAK-UNK-f2409524-21
0.346
MAK-UNK-f2409524-3
0.344
RIT-AID-b8bd8251-1
0.343
TRY-UNI-714a760b-2
0.341
AAR-UNI-c25c2f1e-3
0.340
MAK-UNK-a7b37c5e-3
0.337
MAK-UNK-f2409524-30
0.330
SIM-SYN-a98e6a07-4
0.330
MAK-UNK-f2409524-19
0.330
SAD-SAT-24589cd1-8
0.330
MAK-UNK-f2409524-20
0.330
ALP-POS-95b75b4d-6
0.330
MAK-UNK-748f8b7a-6
0.327
SAD-SAT-24589cd1-6
0.327
MAK-UNK-f2409524-7
0.327
THO-SYG-cc9e9a11-5
0.327
THO-SYG-cc9e9a11-6
0.323
MIC-SGC-657978c3-1
0.323
MAK-UNK-b2c98f02-1
0.321
MAK-UNK-f2409524-24
0.321
ALP-POS-95b75b4d-5
0.320
MAT-POS-bb423b95-4
0.320
MAK-UNK-f2409524-14
0.317
BEN-DND-09b88bf4-7
0.314
ZAC-WAB-b0242612-1
0.314
MAK-UNK-f2409524-25
0.312
AAR-UNI-c25c2f1e-96
0.310
ALP-POS-95b75b4d-10
0.310
CHA-KIN-ceadbd93-1
0.309
MAK-UNK-b2c98f02-5
0.308
MAR-TRE-f6f5f473-89
0.308
MAK-UNK-f2409524-4
0.308
ALE-HEI-f28a35b5-6
0.308
EDG-MED-0da5ad92-4
0.308
TRY-UNI-714a760b-10
0.308
JOH-IMS-d6628593-1
0.308
DAR-DIA-0cde14eb-78
0.306
MAK-UNK-748f8b7a-9
0.305
TRY-UNI-714a760b-7
0.304
SAM-UNK-2684b532-13
0.304
ALP-POS-95b75b4d-8
0.304
MAK-UNK-f2409524-29
0.304
JAN-GHE-83b26c96-11
0.303
ALP-POS-0c2c77e1-1
0.303
MAT-POS-bb423b95-3
0.303
ALP-POS-95b75b4d-4
0.303
JAG-UCB-a3ef7265-23
0.303
MAK-UNK-b2c98f02-4
0.303
MIC-SGC-657978c3-7
0.302
CHA-KIN-ceadbd93-5
0.299
CHA-KIN-6d173bb5-2
0.298
TRY-UNI-714a760b-6
0.298
GAB-REV-70cc3ca5-20
0.298
MIC-SGC-657978c3-3
0.297