Molecular Properties | |
SMILES: | Cc1cccc(CC(=O)Nc2cccnc2)c1O |
MW: | 242.11 |
Fraction sp3: | 0.14 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 62.22 |
cLogP: | 2.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-c749d764-17
0.696
MAK-UNK-c749d764-14
0.635
MAK-UNK-c749d764-23
0.591
MAK-UNK-c749d764-13
0.585
MAK-UNK-a7b37c5e-1
0.532
MAR-TRE-67513f76-81
0.528
SAN-PRS-52b81272-2
0.525
EDG-MED-0da5ad92-2
0.524
DAR-DIA-842b4336-11
0.524
SAD-SAT-24589cd1-4
0.517
MAK-UNK-a7b37c5e-2
0.516
JOH-IMS-62aeb97d-5
0.509
MAK-UNK-a7b37c5e-4
0.508
ALE-HEI-f28a35b5-5
0.500
MAK-UNK-a7b37c5e-5
0.500
DAR-DIA-842b4336-12
0.500
DAR-DIA-842b4336-16
0.492
DAR-DIA-842b4336-10
0.492
MAR-TRE-67513f76-13
0.486
KAL-WAB-eb347ebe-1
0.485
DAR-DIA-23aa0b97-16
0.484
MAK-UNK-ca11b4f7-1
0.482
MAK-UNK-c749d764-9
0.467
ANN-UNI-26382800-5
0.464
MAK-UNK-c749d764-7
0.459
MAR-TRE-9c797165-94
0.458
CHA-MCP-85291e1d-2
0.457
MAR-TRE-67513f76-93
0.456
DAR-DIA-842b4336-13
0.455
MED-UNK-e6e8ef8a-6
0.455
CHA-MCP-85291e1d-1
0.452
CHA-MCP-85291e1d-5
0.451
DAR-DIA-23aa0b97-17
0.443
MAR-TRE-7f7bb9f0-49
0.441
CHR-SOS-f7373dd1-5
0.441
MAR-TRE-2fd8122f-37
0.438
ALE-HEI-f28a35b5-14
0.435
DAR-DIA-842b4336-14
0.435
MAD-FNM-74857450-1
0.432
MAR-TRE-d0525fbf-91
0.429
CHR-SOS-f7373dd1-2
0.429
MAR-TRE-2fd8122f-99
0.425
MAR-TRE-74c6519b-55
0.425
MAR-TRE-74c6519b-47
0.423
DAR-DIA-842b4336-15
0.423
CHR-SOS-59746812-2
0.423
CHR-SOS-59746812-6
0.417
MED-UNK-e6e8ef8a-4
0.414
MAK-UNK-ca11b4f7-3
0.414
CHR-SOS-f7373dd1-6
0.413
DAR-DIA-842b4336-7
0.412
CHR-SOS-59746812-1
0.411
MAR-TRE-9c797165-14
0.410
AUS-ARG-7cfdce8f-11
0.409
MAR-TRE-2fd8122f-57
0.408
EDJ-MED-49816e9b-1
0.408
MAR-TRE-3e4e6814-79
0.407
MAR-TRE-04c86cea-41
0.407
MED-UNK-e6e8ef8a-3
0.406
CHR-SOS-59746812-5
0.405
MAR-TRE-f6f5f473-95
0.405
MAR-TRE-2fd8122f-39
0.405
MAR-TRE-7f7bb9f0-46
0.403
CHR-SOS-f7373dd1-4
0.403
CHR-SOS-f7373dd1-3
0.403
MAR-TRE-2fd8122f-46
0.402
MAR-TRE-67513f76-69
0.402
MAR-TRE-67513f76-22
0.400
MAR-TRE-7f7bb9f0-74
0.400
MAR-TRE-3e4e6814-50
0.397
MAR-TRE-7f7bb9f0-90
0.397
ALE-HEI-f28a35b5-9
0.397
FRA-FAC-9ed5a63a-1
0.397
AAR-POS-d2a4d1df-13
0.397
WIL-UNI-5578df48-26
0.395
MAR-TRE-7f7bb9f0-56
0.394
MAK-UNK-d1e89583-1
0.394
MAR-TRE-b77b7921-39
0.393
DUN-NEW-f8ce3686-9
0.393
CHR-SOS-59746812-3
0.392
CHR-SOS-f7373dd1-1
0.392
MED-UNK-e6e8ef8a-5
0.391
MAK-UNK-ca11b4f7-2
0.390
MAR-TRE-2fd8122f-2
0.390
KEI-TRE-d5e2018a-14
0.390
KEI-TRE-d5e2018a-45
0.390
CHR-SOS-70e4c98a-6
0.389
MAR-TRE-2fd8122f-26
0.388
WAR-XCH-eb7b662f-6
0.388
CHR-SOS-59746812-4
0.388
AAR-POS-d2a4d1df-11
0.387
MAR-TRE-2fd8122f-60
0.387
MAR-TRE-74c6519b-91
0.387
CHR-SOS-70e4c98a-3
0.387
FRA-FAC-9ed5a63a-2
0.386
MED-UNK-e6e8ef8a-2
0.386
MAR-TRE-d0525fbf-64
0.385
PET-SGC-d0156db4-2
0.385
WIL-UNI-5578df48-15
0.384
MAR-TRE-67513f76-73
0.384