Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1cnccc1CCNC(=O)NC1CCCCC1 |
MW: | 386.54 |
Fraction sp3: | 0.68 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 83.12 |
cLogP: | 4.1649 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CES-WAB-18e74d70-1
0.720
PET-SGC-c429dc17-1
0.720
DAR-DIA-03336633-7
0.687
DAR-DIA-03336633-6
0.648
HAN-NEW-5f56c3bc-3
0.635
DAR-DIA-03336633-1
0.635
CHA-KIN-ceadbd93-2
0.608
DAR-DIA-03336633-3
0.587
DAR-DIA-03336633-4
0.585
MAK-UNK-f2409524-15
0.576
CHA-KIN-ceadbd93-6
0.560
DAR-DIA-03336633-2
0.516
ALE-HEI-f28a35b5-6
0.500
LON-WEI-af038623-1
0.500
EDG-MED-0da5ad92-4
0.500
TRY-UNI-714a760b-10
0.500
MAK-UNK-f2409524-35
0.491
MAK-UNK-f2409524-36
0.472
AAR-POS-d2a4d1df-12
0.468
MAK-UNK-f2409524-33
0.448
MAK-UNK-f2409524-34
0.446
MAK-UNK-f2409524-32
0.444
MAK-UNK-f2409524-17
0.435
MAK-UNK-f2409524-31
0.423
SID-ELM-2583a2cd-21
0.422
MAK-UNK-f2409524-27
0.419
MAK-UNK-b2c98f02-2
0.414
MAK-UNK-f2409524-2
0.411
SID-ELM-2583a2cd-3
0.404
FRA-FAC-9ed5a63a-1
0.402
ALE-HEI-f28a35b5-9
0.402
AAR-POS-d2a4d1df-13
0.402
ALE-HEI-f28a35b5-7
0.398
TRY-UNI-714a760b-11
0.398
MAK-UNK-f2409524-18
0.396
SID-ELM-2583a2cd-4
0.396
MAK-UNK-f2409524-16
0.388
SID-ELM-8b394441-2
0.388
SID-ELM-8b394441-4
0.388
SID-ELM-2583a2cd-13
0.385
SID-ELM-b654bfa2-13
0.385
DAR-DIA-03336633-9
0.384
TRY-UNI-714a760b-1
0.384
MAK-UNK-f2409524-21
0.380
CHA-KIN-ceadbd93-3
0.379
MAK-UNK-f2409524-28
0.376
SID-ELM-2583a2cd-1
0.374
SID-ELM-2583a2cd-12
0.374
MAK-UNK-f2409524-1
0.371
MAK-UNK-f2409524-26
0.371
SID-ELM-b654bfa2-8
0.371
SID-ELM-2583a2cd-18
0.370
SID-ELM-b654bfa2-21
0.368
SID-ELM-8b394441-17
0.367
SID-ELM-8b394441-16
0.364
DAR-DIA-03336633-10
0.363
SID-ELM-2583a2cd-2
0.359
ALE-HEI-f28a35b5-8
0.357
DAR-DIA-03336633-11
0.356
MAT-POS-590ac91e-24
0.356
MAK-UNK-b2c98f02-1
0.353
DAR-DIA-03336633-8
0.353
SID-ELM-b654bfa2-9
0.352
NIM-UNI-363644a0-2
0.351
MAK-UNK-f2409524-3
0.351
MAK-UNK-f2409524-19
0.351
MED-UNK-e6e8ef8a-8
0.350
SID-ELM-8b394441-18
0.348
SID-ELM-8b394441-23
0.347
SID-ELM-2583a2cd-19
0.341
EDG-MED-0da5ad92-9
0.341
SID-ELM-8b394441-26
0.337
MAK-UNK-f2409524-30
0.336
MAK-UNK-b2c98f02-4
0.333
SID-ELM-2583a2cd-16
0.333
PET-SGC-a9e9d4f4-1
0.330
MAK-UNK-f2409524-24
0.327
SID-ELM-b654bfa2-10
0.327
SID-ELM-8b394441-20
0.327
MAK-UNK-f2409524-14
0.324
MAK-UNK-f2409524-20
0.323
SID-ELM-b654bfa2-15
0.323
SID-ELM-b654bfa2-12
0.320
SID-ELM-b654bfa2-16
0.320
SID-ELM-8b394441-19
0.320
SID-ELM-2583a2cd-15
0.319
MAK-UNK-b2c98f02-3
0.317
SID-ELM-8b394441-22
0.316
CHA-KIN-6d173bb5-2
0.315
CHA-KIN-ceadbd93-1
0.315
JOH-IMS-d6628593-1
0.315
MAT-POS-590ac91e-23
0.315
MAK-UNK-f2409524-4
0.314
TRY-UNI-714a760b-7
0.311
MAK-UNK-f2409524-29
0.310
SID-ELM-b654bfa2-11
0.309
SID-ELM-8b394441-21
0.309
CHA-KIN-6d173bb5-1
0.307
MAK-UNK-f2409524-25
0.306
AAR-UNI-c25c2f1e-3
0.306