Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1cnccc1CCNC(=O)NC1CCCCC1 |
MW: | 381.48 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 95.15 |
cLogP: | 3.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
HAN-NEW-5f56c3bc-3
1.000
DAR-DIA-03336633-3
0.750
DAR-DIA-03336633-4
0.724
CES-WAB-18e74d70-1
0.711
PET-SGC-c429dc17-1
0.711
DAR-DIA-03336633-7
0.699
DAR-DIA-03336633-5
0.635
DAR-DIA-03336633-2
0.616
DAR-DIA-03336633-11
0.605
DAR-DIA-03336633-6
0.587
MAK-UNK-f2409524-15
0.552
MAK-UNK-f2409524-35
0.542
MAK-UNK-f2409524-36
0.495
LON-WEI-af038623-1
0.494
WIL-UNI-5578df48-11
0.488
AAR-POS-d2a4d1df-12
0.463
MAK-UNK-f2409524-33
0.443
MAK-UNK-f2409524-32
0.440
MAK-UNK-f2409524-31
0.433
MAK-UNK-f2409524-34
0.427
ALE-HEI-f28a35b5-1
0.425
TRY-UNI-714a760b-4
0.425
MAK-UNK-f2409524-18
0.421
ALE-HEI-f28a35b5-8
0.420
MAK-UNK-129dcd6f-6
0.417
MAK-UNK-f2409524-27
0.415
MAK-UNK-30aad1f1-4
0.412
MAK-UNK-f2409524-16
0.412
TRY-UNI-714a760b-11
0.410
ALE-HEI-f28a35b5-7
0.410
MAK-UNK-f2409524-2
0.406
WIL-UNI-5578df48-12
0.402
WIL-UNI-5578df48-10
0.400
DAR-DIA-03336633-9
0.394
MAK-UNK-f2409524-17
0.393
WAR-XCH-b0339bbe-9
0.392
CHA-KIN-ceadbd93-3
0.391
MAK-UNK-f2409524-26
0.381
MAK-UNK-129dcd6f-1
0.375
DAR-DIA-03336633-10
0.373
SIM-SYN-a98e6a07-4
0.371
MAK-UNK-129dcd6f-18
0.371
HAN-NEW-5f56c3bc-1
0.369
MAK-UNK-f2409524-1
0.367
PET-SGC-a9e9d4f4-1
0.364
DAR-DIA-03336633-8
0.363
MAK-UNK-129dcd6f-15
0.362
NIM-UNI-363644a0-2
0.359
SID-ELM-2583a2cd-11
0.356
AAR-POS-d2a4d1df-11
0.354
SID-ELM-2583a2cd-20
0.352
MAK-UNK-f2409524-21
0.350
CHA-KIN-ceadbd93-2
0.348
MAK-UNK-37f1d6fa-4
0.348
WIL-UNI-5578df48-9
0.347
MAK-UNK-f2409524-28
0.346
AAR-UNI-c25c2f1e-3
0.344
MAK-UNK-129dcd6f-8
0.344
MAK-UNK-129dcd6f-17
0.344
MAK-UNK-30aad1f1-15
0.343
MAK-UNK-de8f6d00-6
0.342
SID-ELM-2583a2cd-8
0.341
SID-ELM-2583a2cd-17
0.341
SID-ELM-2583a2cd-22
0.341
MAK-UNK-129dcd6f-7
0.340
DAR-DIA-03336633-13
0.337
AAR-UNI-c25c2f1e-45
0.333
ANU-UNK-2781581f-2
0.333
MAK-UNK-f2409524-3
0.333
WIL-UNI-5578df48-13
0.333
MAK-UNK-f2409524-19
0.333
TRY-UNI-714a760b-8
0.333
CHA-KIN-ceadbd93-6
0.333
HAR-NEW-ca1d46ce-2
0.330
SID-ELM-8b394441-3
0.329
SID-ELM-8b394441-1
0.329
SID-ELM-2583a2cd-10
0.326
CHA-KIN-6d173bb5-2
0.324
MAK-UNK-b2c98f02-5
0.324
MAK-UNK-f2409524-24
0.324
MAK-UNK-129dcd6f-16
0.323
SID-ELM-2583a2cd-9
0.323
MAK-UNK-d1e89583-8
0.323
SID-ELM-8b394441-6
0.322
SID-ELM-b654bfa2-2
0.322
TRY-UNI-714a760b-7
0.322
SID-ELM-2583a2cd-5
0.321
MAK-UNK-f2409524-30
0.321
MAK-UNK-f2409524-14
0.320
MAK-UNK-f2409524-20
0.320
ZAC-WAB-b0242612-1
0.318
SID-ELM-8b394441-5
0.315
JOH-IMS-d6628593-1
0.311
SID-ELM-b654bfa2-1
0.311
MAK-UNK-f2409524-4
0.311
DAR-DIA-03336633-15
0.308
MAK-UNK-f2409524-29
0.307
SIM-SYN-a98e6a07-2
0.306
WIL-UNI-5578df48-17
0.306
MAK-UNK-b2c98f02-2
0.306