Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(CNC(=O)Cc3c[nH]c4ncccc34)cc(F)cc12 |
MW: | 407.449 |
Fraction sp3: | 0.23 |
HBA: | 3 |
HBD: | 4 |
Rotatable Bonds: | 7 |
TPSA: | 102.67 |
cLogP: | 2.7208 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
MAK-UNK-10572812-12
0.558
TAM-UNI-c140e31a-2
0.538
PET-SGC-1c3a473d-1
0.500
GAB-REV-4a4e2ff3-15
0.495
WIL-LEE-1f71e281-6
0.494
GAB-REV-4a4e2ff3-4
0.481
ASH-UNK-40b46b30-5
0.474
ELE-IMP-dfb36048-1
0.473
SIM-DEM-265738e1-1
0.473
PET-SGC-f818f65b-1
0.473
TAM-UNI-c140e31a-15
0.473
SAM-UNK-903735bd-2
0.473
TRY-UNI-1fd04853-7
0.472
TRY-UNI-1fd04853-5
0.467
SHR-UNK-cde60afe-1
0.467
TRY-UNI-1fd04853-9
0.462
TRY-UNI-1fd04853-8
0.457
TRY-UNI-1fd04853-6
0.453
MAK-UNK-be5ffcbc-2
0.453
TRY-UNI-1fd04853-11
0.452
GAB-REV-4a4e2ff3-3
0.451
GAB-REV-4a4e2ff3-21
0.449
MAK-UNK-be5ffcbc-4
0.448
GAB-REV-4a4e2ff3-8
0.444
GAB-REV-4a4e2ff3-1
0.443
TRY-UNI-1fd04853-10
0.443
SAM-UNK-903735bd-1
0.443
ASH-UNK-40b46b30-7
0.441
JOK-SYG-302da050-1
0.440
DAR-DIA-fb20be43-11
0.440
STU-CHA-bc0a9883-1
0.440
NAU-LAT-f723e322-1
0.440
MAK-UNK-10572812-13
0.439
TAM-UNI-c140e31a-3
0.438
TRY-UNI-1fd04853-12
0.438
NIR-THE-0d6461ce-2
0.431
TAM-UNI-c140e31a-22
0.431
MAR-TRE-3159af1a-9
0.429
MAK-UNK-b1917cc8-5
0.429
MAK-UNK-be5ffcbc-9
0.427
MAK-UNK-10572812-8
0.426
GAB-REV-4a4e2ff3-11
0.426
MAK-UNK-ec98eaf6-33
0.423
WAR-XCH-e55cba98-2
0.422
NAU-LAT-f723e322-2
0.422
MAK-UNK-10572812-11
0.417
GAB-REV-4a4e2ff3-5
0.415
WAR-XCH-e55cba98-3
0.413
MAK-UNK-be5ffcbc-6
0.412
MAR-TRE-3159af1a-33
0.411
MAR-TRE-3159af1a-8
0.409
GAB-REV-4a4e2ff3-14
0.408
MAR-TRE-3159af1a-41
0.408
MAK-UNK-10572812-10
0.407
KAL-WAB-eb347ebe-1
0.407
NAU-LAT-81109c57-5
0.406
GAB-REV-4a4e2ff3-7
0.405
DUN-NEW-f8ce3686-21
0.404
MAK-UNK-10572812-9
0.404
JOK-SYG-b7365cd7-1
0.402
DAR-DIA-23aa0b97-12
0.396
RED-RED-10c9212c-49
0.394
DAR-DIA-23aa0b97-1
0.394
MAK-UNK-10572812-6
0.393
MAK-UNK-10572812-7
0.393
GAB-REV-4a4e2ff3-13
0.393
NIC-BIO-25446079-3
0.392
NIC-BIO-25446079-1
0.389
NAU-LAT-81109c57-3
0.388
LON-WEI-af038623-6
0.386
GAB-REV-4a4e2ff3-18
0.385
MAK-UNK-10572812-1
0.383
MAR-TRE-3159af1a-37
0.382
ANT-DIA-3c79be55-1
0.378
ZAC-WAB-2baeb60f-1
0.377
ZAC-WAB-d55a3c2e-1
0.377
NAU-LAT-30527ac5-5
0.376
NAU-LAT-0543f7f2-3
0.376
GAB-REV-4a4e2ff3-2
0.375
MAK-UNK-10572812-2
0.375
AAR-POS-d2a4d1df-2
0.374
DAR-DIA-23aa0b97-2
0.373
NIC-BIO-3276ca7f-4
0.373
GAB-REV-4a4e2ff3-16
0.372
GAB-REV-4a4e2ff3-20
0.372
NAU-LAT-81109c57-6
0.371
ANT-DIA-3c79be55-3
0.371
MAK-UNK-ec98eaf6-34
0.369
GAB-REV-4a4e2ff3-6
0.369
NAU-LAT-30527ac5-4
0.368
MAR-UCB-195bc32d-13
0.367
MAR-TRE-3159af1a-76
0.366
DUN-NEW-f8ce3686-6
0.366
GAB-REV-4a4e2ff3-10
0.365
IND-SYN-6c8299e8-5
0.365
IND-SYN-3aa4e743-1
0.365
AAR-POS-d2a4d1df-20
0.365
NIC-BIO-3276ca7f-6
0.364
GAB-REV-4a4e2ff3-9
0.363
NIC-BIO-3276ca7f-5
0.362