Molecular Properties | |
SMILES: | O=C1CN2Cc3ccc(Cl)cc3C(C2)C(=O)Nc2cncc3ccc(cc23)OCCN1 |
MW: | 436.13 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 0 |
TPSA: | 83.56 |
cLogP: | 2.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-4223bc15-23
MAT-UNK-ff8c4e54-1
0.863
MAT-UNK-1889d436-1
0.667
MAT-UNK-6917668e-1
0.654
MAT-UNK-12b5acf5-1
0.531
RAM-THI-7078c165-1
0.483
RAM-THI-7078c165-2
0.474
MAT-NA_-7dc3e0f8-1
0.379
MAT-UNK-2f7e45db-1
0.373
MAT-UNK-0990acaa-1
0.305
RAL-THA-952697e1-4
0.299
MAT-POS-777f5926-2
0.299
EDJ-MED-12c4873b-5
0.299
RAL-THA-952697e1-3
0.299
MAT-POS-4223bc15-30
0.296
MAT-UNK-673d6610-1
0.296
MAT-POS-4223bc15-2
0.295
ALF-EVA-07677224-10
0.292
EDJ-MED-12c4873b-7
0.291
RAL-THA-952697e1-1
0.291
RAL-THA-952697e1-2
0.291
EDJ-MED-841e0cf0-6
0.290
EDJ-MED-670ad2ee-7
0.290
EDJ-MED-670ad2ee-8
0.290
EDJ-MED-1981ceba-1
0.289
ALF-EVA-0e90125c-1
0.289
MAT-POS-dd3ad2b5-1
0.288
BEN-DND-f2e727cd-6
0.288
MAT-UNK-88dc5cbd-1
0.288
MAT-POS-be048f2c-3
0.288
MAT-POS-4223bc15-40
0.287
BEN-DND-32596b04-1
0.287
MAT-POS-be048f2c-2
0.286
MAT-UNK-35705829-1
0.286
DAR-DIA-4987d2cd-4
0.285
MIC-UNK-482af05e-2
0.285
MAT-UNK-f490e871-1
0.284
MAT-POS-4223bc15-31
0.283
ALF-EVA-0e90125c-3
0.283
DAR-DIA-4987d2cd-3
0.282
MAT-UNK-1d9ee2ed-1
0.282
MAT-POS-4223bc15-36
0.281
PET-UNK-ff046148-1
0.281
PET-UNK-615ad708-5
0.281
PET-UNK-615ad708-2
0.281
PET-UNK-d61f3ea6-4
0.281
EDJ-MED-1981ceba-2
0.280
BEN-DND-32596b04-7
0.280
EDJ-MED-1981ceba-3
0.279
BEN-DND-32596b04-8
0.279
EDJ-MED-c40d95bc-2
0.279
MAT-POS-4223bc15-21
0.279
MAT-POS-4223bc15-25
0.279
MAT-POS-be048f2c-1
0.279
MAT-POS-4223bc15-7
0.278
MAT-POS-5cd9ea36-6
0.278
MAT-POS-bf364d7a-9
0.278
MAT-POS-bf364d7a-10
0.278
MAT-POS-dd1fff26-2
0.277
EDJ-MED-487c5e9f-5
0.277
MAT-POS-dd1fff26-1
0.277
ALF-EVA-07677224-6
0.277
ALF-EVA-0e90125c-5
0.277
MAT-POS-5cd9ea36-10
0.277
EDJ-MED-e9a22d5d-1
0.277
MAT-POS-4223bc15-1
0.277
MAT-POS-4223bc15-3
0.277
MAT-POS-4223bc15-29
0.276
EDJ-MED-fa7708b3-1
0.276
RAL-THA-ee48ba5f-1
0.276
PET-UNK-d61f3ea6-1
0.276
MAT-POS-5cd9ea36-4
0.276
ALP-POS-d054b76b-2
0.276
ALF-EVA-07677224-4
0.275
ALF-EVA-0e90125c-8
0.275
DAR-DIA-5e50e037-1
0.275
JOH-SUS-07b743f6-6
0.275
MAT-POS-4223bc15-23
0.275
MAT-POS-4223bc15-26
0.275
MAT-POS-8293a91a-4
0.275
MAT-POS-4223bc15-27
0.275
PET-UNK-d61f3ea6-2
0.275
MAT-POS-8293a91a-5
0.275
MAT-POS-be048f2c-4
0.275
MAT-POS-5cd9ea36-20
0.274
MAT-POS-4223bc15-32
0.274
MAT-POS-24589f88-3
0.273
MAT-POS-dd3ad2b5-2
0.273
MAT-POS-dd3ad2b5-3
0.273
MAT-POS-dd3ad2b5-4
0.273
MAT-POS-4223bc15-19
0.273
PET-UNK-9b23ef84-2
0.273
MAT-POS-24589f88-2
0.273
RAL-THA-6e4c80cf-1
0.273
YVE-CNR-132fc2df-1
0.273
ANN-CHE-e1757302-4
0.273
EDJ-MED-fa7708b3-3
0.273
XIA-UNK-c8ef6831-1
0.273
MAT-POS-81ae2990-3
0.273
ALF-EVA-07677224-5
0.273
EDJ-MED-841e0cf0-5
0.273