Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1cccnc1-c1cc2ccccc2o1 |
MW: | 334.419 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 55.13 |
cLogP: | 5.4037 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALE-HEI-f28a35b5-9
SID-ELM-8b394441-4
0.494
SID-ELM-8b394441-2
0.494
SID-ELM-2583a2cd-21
0.453
MAK-UNK-b2c98f02-1
0.421
CHA-KIN-ceadbd93-2
0.415
SID-ELM-b654bfa2-21
0.415
SID-ELM-2583a2cd-4
0.409
TRY-UNI-714a760b-10
0.407
EDG-MED-0da5ad92-4
0.407
ALE-HEI-f28a35b5-6
0.407
SID-ELM-2583a2cd-3
0.402
SID-ELM-8b394441-16
0.393
SID-ELM-b654bfa2-8
0.384
FRA-FAC-9ed5a63a-1
0.383
AAR-POS-d2a4d1df-13
0.383
ALE-HEI-f28a35b5-9
0.383
SID-ELM-2583a2cd-13
0.382
SID-ELM-2583a2cd-18
0.382
TRY-UNI-714a760b-1
0.381
SID-ELM-2583a2cd-1
0.371
SID-ELM-2583a2cd-12
0.371
SID-ELM-8b394441-17
0.364
SID-ELM-b654bfa2-9
0.364
CHA-KIN-ceadbd93-6
0.362
SID-ELM-2583a2cd-16
0.361
SID-ELM-8b394441-18
0.360
SID-ELM-b654bfa2-12
0.359
SID-ELM-8b394441-20
0.351
SID-ELM-b654bfa2-10
0.351
DAR-DIA-03336633-5
0.350
MAK-UNK-b2c98f02-2
0.343
SID-ELM-2583a2cd-2
0.341
SID-ELM-8b394441-22
0.340
SID-ELM-2583a2cd-19
0.337
SID-ELM-2583a2cd-15
0.330
SID-ELM-b654bfa2-13
0.323
SID-ELM-8b394441-23
0.316
SID-ELM-8b394441-24
0.316
MAK-UNK-b2c98f02-3
0.314
SID-ELM-b654bfa2-11
0.305
SID-ELM-8b394441-21
0.305
SID-ELM-8b394441-26
0.305
SID-ELM-b654bfa2-20
0.305
SID-ELM-b654bfa2-15
0.305
MAK-UNK-b2c98f02-4
0.305
MAR-TRE-3e4e6814-53
0.303
VLA-UCB-34f3ed0c-6
0.303
SID-ELM-b654bfa2-16
0.302
SID-ELM-b654bfa2-14
0.302
SID-ELM-8b394441-19
0.302
SID-ELM-8b394441-25
0.292
MAT-POS-b5746674-77
0.287
MAR-TRE-7f7bb9f0-96
0.287
EDG-MED-0da5ad92-9
0.280
TAT-ENA-80bfd3e5-15
0.279
MAK-UNK-c749d764-12
0.277
MAK-UNK-ffc90da7-2
0.277
MAR-TRE-f6f5f473-53
0.276
MAR-TRE-f6f5f473-35
0.276
MAK-UNK-c749d764-26
0.275
MAR-TRE-b77b7921-16
0.271
SIM-DEM-2843056b-6
0.271
SIM-DEM-1d7050d3-1
0.267
ADA-UCB-dc2b944c-17
0.263
SIM-DEM-2843056b-7
0.262
SAN-PRS-52b81272-1
0.261
EDJ-MED-c314995a-1
0.261
MAR-TRE-b77b7921-22
0.261
VLA-UCB-05e51b3f-14
0.261
MAR-TRE-74c6519b-95
0.260
SIM-DEM-2843056b-1
0.259
JOR-UNI-61e7b1d5-18
0.259
AAR-POS-0daf6b7e-20
0.259
MAR-TRE-7f7bb9f0-95
0.258
MAR-TRE-3e4e6814-81
0.257
MAR-TRE-04c86cea-68
0.257
MAT-POS-53907a1c-3
0.256
MAR-TRE-1c920f6f-77
0.255
MAK-UNK-129dcd6f-1
0.255
SIM-DEM-2843056b-3
0.255
FRA-FAC-9ed5a63a-2
0.253
MED-UNK-e6e8ef8a-3
0.253
MED-UNK-e6e8ef8a-2
0.253
NAU-LAT-2fed8305-5
0.253
MAK-UNK-c749d764-2
0.252
MAK-UNK-c749d764-8
0.252
MIC-UNK-bcd487e9-2
0.252
ADA-UCB-dc2b944c-3
0.252
ALP-POS-64a710fa-1
0.250
MAK-UNK-c749d764-4
0.250
MAR-TRE-d0525fbf-78
0.250
JOR-UNI-61e7b1d5-20
0.250
JOR-UNI-61e7b1d5-21
0.248
SIM-DEM-2843056b-5
0.248
MAR-TRE-b77b7921-59
0.248
MAK-UNK-c749d764-1
0.248
MAT-POS-ea426761-6
0.248
MAT-UCB-70f7c0f7-5
0.245
GAB-REV-70cc3ca5-11
0.245
ADA-UCB-dc2b944c-2
0.244