Molecular Properties | |
SMILES: | CC(=O)NCCc1cccc(CC(=O)Nc2cccnc2)c1 |
MW: | 297.358 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 71.09 |
cLogP: | 1.9414 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHA-MCP-85291e1d-7
0.629
CHA-MCP-85291e1d-3
0.625
EDG-MED-0da5ad92-2
0.600
CHA-MCP-85291e1d-5
0.586
ANN-UNI-26382800-5
0.535
CHA-MCP-85291e1d-2
0.528
SAN-PRS-52b81272-2
0.508
DAR-DIA-23aa0b97-16
0.493
SAD-SAT-24589cd1-4
0.478
MAK-UNK-c749d764-17
0.471
MAK-UNK-a7b37c5e-4
0.471
MAR-TRE-2fd8122f-39
0.469
DAR-DIA-842b4336-11
0.465
MAK-UNK-a7b37c5e-5
0.464
SAD-SAT-135344c3-10
0.463
DAR-DIA-842b4336-16
0.458
DAR-DIA-842b4336-10
0.457
DAR-DIA-23aa0b97-17
0.453
MAK-UNK-c749d764-27
0.452
MAK-UNK-ca11b4f7-1
0.444
JOH-IMS-62aeb97d-5
0.444
MAK-UNK-c749d764-14
0.442
MAR-TRE-67513f76-81
0.435
DUN-NEW-f8ce3686-8
0.432
CHA-MCP-85291e1d-4
0.430
ALE-HEI-f28a35b5-5
0.425
DAR-DIA-842b4336-12
0.425
MAD-FNM-828af174-1
0.424
DUN-NEW-f8ce3686-9
0.420
TAM-UNI-c140e31a-3
0.419
MAK-UNK-a7b37c5e-2
0.419
MAK-UNK-c749d764-23
0.412
WIL-UNI-5578df48-28
0.412
MAK-UNK-a7b37c5e-1
0.411
ASH-UNK-40b46b30-7
0.407
MED-UNK-e6e8ef8a-6
0.405
DAR-DIA-842b4336-13
0.405
MAK-UNK-c749d764-13
0.405
WIL-UNI-5578df48-14
0.405
WIL-LEE-23e8b574-3
0.403
DAR-DIA-842b4336-15
0.397
KAL-WAB-eb347ebe-1
0.397
MAR-TRE-67513f76-22
0.395
MAR-TRE-2fd8122f-37
0.395
MAR-TRE-7f7bb9f0-49
0.395
EDG-MED-0da5ad92-13
0.395
WIL-UNI-5578df48-24
0.393
BAR-COM-21d20d65-8
0.393
CHR-SOS-59746812-6
0.392
MAR-TRE-04c86cea-97
0.392
MAR-TRE-3e4e6814-50
0.392
DAR-DIA-842b4336-14
0.390
BAR-COM-21d20d65-5
0.388
MAR-TRE-9c797165-14
0.388
MAR-TRE-2fd8122f-35
0.387
KEI-TRE-d5e2018a-26
0.386
ALE-HEI-f28a35b5-15
0.386
ALE-HEI-f28a35b5-14
0.386
MAK-UNK-ca11b4f7-3
0.385
EDJ-MED-e58735b6-2
0.385
BAR-COM-21d20d65-6
0.384
MAR-TRE-f6f5f473-95
0.384
AUS-ARG-7cfdce8f-11
0.384
MAR-TRE-2fd8122f-99
0.383
MAR-TRE-67513f76-13
0.383
MAR-TRE-2fd8122f-60
0.383
CHR-SOS-59746812-5
0.383
CHR-SOS-59746812-2
0.380
BAR-COM-21d20d65-2
0.379
JAN-GHE-5a013bed-9
0.378
MAR-TRE-9c797165-94
0.378
MAR-TRE-3e4e6814-62
0.378
MAD-FNM-74857450-1
0.378
MAR-TRE-2fd8122f-45
0.376
BAR-COM-21d20d65-9
0.376
MAK-UNK-129dcd6f-2
0.376
BAR-COM-21d20d65-4
0.376
MAK-UNK-d1e89583-8
0.375
MAR-TRE-2fd8122f-98
0.373
EDG-MED-0da5ad92-12
0.372
MAR-TRE-67513f76-93
0.372
SAD-SAT-135344c3-7
0.371
MAR-TRE-3e4e6814-79
0.371
CHR-SOS-59746812-1
0.370
MAR-TRE-9c797165-52
0.370
MAK-UNK-d1e89583-1
0.370
DAR-DIA-23aa0b97-15
0.370
MAR-TRE-2fd8122f-2
0.369
MED-UNK-e6e8ef8a-5
0.368
BAR-COM-21d20d65-3
0.368
MAR-TRE-9c797165-38
0.368
DAR-DIA-23aa0b97-4
0.367
CHR-SOS-f7373dd1-2
0.367
MAR-TRE-2fd8122f-57
0.367
MAR-TRE-d0525fbf-91
0.367
SAD-SAT-135344c3-9
0.367
MAK-UNK-b2c98f02-6
0.367
MAR-TRE-74c6519b-55
0.366
DAR-DIA-23aa0b97-14
0.365
WAR-XCH-eb7b662f-6
0.365