Molecular Properties | |
SMILES: | O=C1CN2Cc3ccc(Cl)cc3C(C2)C(=O)Nc2cncc3ccc(cc23)OCCCN1 |
MW: | 450.15 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 0 |
TPSA: | 83.56 |
cLogP: | 3.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-4223bc15-23
MAT-UNK-38d3ea22-1
0.863
MAT-UNK-1889d436-1
0.692
MAT-UNK-6917668e-1
0.679
MAT-UNK-12b5acf5-1
0.513
RAM-THI-7078c165-1
0.479
RAM-THI-7078c165-2
0.470
MAT-UNK-2f7e45db-1
0.370
MAT-NA_-7dc3e0f8-1
0.365
MAT-POS-777f5926-2
0.296
ALF-EVA-0e90125c-1
0.296
EDJ-MED-12c4873b-5
0.296
RAL-THA-952697e1-3
0.296
RAL-THA-952697e1-4
0.296
MAT-POS-4223bc15-30
0.294
MAT-POS-5cd9ea36-6
0.294
MAT-POS-bf364d7a-9
0.294
MAT-POS-bf364d7a-10
0.294
MAT-UNK-0990acaa-1
0.293
MAT-POS-4223bc15-2
0.292
MAT-POS-4223bc15-31
0.290
ALF-EVA-07677224-10
0.290
RAL-THA-952697e1-1
0.289
PET-UNK-615ad708-2
0.289
PET-UNK-615ad708-5
0.289
PET-UNK-ff046148-1
0.289
EDJ-MED-12c4873b-7
0.289
RAL-THA-952697e1-2
0.289
EDJ-MED-1981ceba-2
0.288
EDJ-MED-1981ceba-1
0.287
BEN-DND-f2e727cd-6
0.286
MAT-POS-dd3ad2b5-1
0.286
MAT-UNK-88dc5cbd-1
0.286
MAT-POS-4223bc15-40
0.285
BEN-DND-32596b04-1
0.285
MAT-POS-be048f2c-2
0.284
MAT-POS-dc2604c4-2
0.284
PET-UNK-d61f3ea6-1
0.284
MAT-POS-5cd9ea36-4
0.284
MAT-UNK-35705829-1
0.284
MAT-UNK-673d6610-1
0.283
JOH-SUS-07b743f6-6
0.283
MIC-UNK-482af05e-2
0.282
DAR-DIA-4987d2cd-4
0.282
MAT-UNK-f490e871-1
0.281
ALF-EVA-0e90125c-3
0.281
ANN-CHE-e1757302-4
0.281
XIA-UNK-c8ef6831-1
0.281
DAR-DIA-4987d2cd-3
0.280
BRU-THA-d60fe444-1
0.280
ALF-EVA-07677224-9
0.279
JOH-SUS-07b743f6-3
0.279
PET-UNK-d61f3ea6-4
0.279
EDJ-MED-841e0cf0-6
0.278
EDJ-MED-670ad2ee-8
0.278
BEN-DND-32596b04-7
0.278
EDJ-MED-670ad2ee-7
0.278
XIA-UNK-d96e3d51-1
0.278
BEN-DND-32596b04-8
0.277
EDJ-MED-1981ceba-3
0.277
MAT-POS-4223bc15-18
0.277
MAT-POS-4223bc15-21
0.277
EDJ-MED-c40d95bc-2
0.277
MAT-POS-4223bc15-25
0.277
MAT-POS-be048f2c-1
0.277
MAT-POS-be048f2c-3
0.277
EDJ-MED-4fff0a85-3
0.277
MAT-POS-4223bc15-12
0.277
MAT-POS-bf364d7a-1
0.277
MAT-POS-bf364d7a-2
0.277
MAT-POS-4223bc15-5
0.276
MAT-POS-4223bc15-7
0.276
MAT-POS-dd1fff26-1
0.275
MAT-POS-5cd9ea36-9
0.275
MAT-POS-4223bc15-14
0.275
EDJ-MED-c82a5324-2
0.275
MAT-POS-5cd9ea36-10
0.275
MAT-POS-dd1fff26-2
0.275
ALF-EVA-0e90125c-5
0.275
EDJ-MED-487c5e9f-5
0.275
EDJ-MED-e9a22d5d-1
0.275
MAT-POS-4223bc15-1
0.275
MAT-POS-4223bc15-6
0.275
MAT-POS-4223bc15-3
0.275
MAT-POS-777f5926-4
0.275
JOH-SUS-07b743f6-2
0.275
MAT-POS-777f5926-3
0.275
MAT-POS-dc2604c4-3
0.275
ALP-POS-07e1ed01-1
0.275
MAT-POS-4223bc15-41
0.274
MAT-POS-4223bc15-29
0.274
RAL-THA-ee48ba5f-1
0.274
EDJ-MED-fa7708b3-1
0.274
EDJ-MED-76744c27-3
0.274
ALP-POS-d054b76b-2
0.273
XIA-UNK-284f966f-1
0.273
PET-UNK-94036022-1
0.273
PET-UNK-94036022-8
0.273
MAT-POS-dc2604c4-1
0.273
DAR-DIA-5e50e037-1
0.273
MAT-POS-e194df51-1
0.273