Molecular Properties | |
SMILES: | O=C1CN2Cc3ccc(Cl)cc3C(C2)C(=O)Nc2cncc3ccc(cc23)CCCN1 |
MW: | 434.15 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 0 |
TPSA: | 74.33 |
cLogP: | 3.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-4223bc15-23
MAT-UNK-6917668e-1
0.892
MAT-UNK-ff8c4e54-1
0.692
MAT-UNK-38d3ea22-1
0.667
MAT-UNK-2f7e45db-1
0.509
MAT-NA_-7dc3e0f8-1
0.478
RAM-THI-7078c165-1
0.379
MAT-UNK-12b5acf5-1
0.376
RAM-THI-7078c165-2
0.349
ALF-EVA-0e90125c-1
0.301
EDJ-MED-487c5e9f-5
0.299
MAT-POS-4223bc15-30
0.299
ALF-EVA-07677224-10
0.294
RAL-THA-952697e1-4
0.291
MAT-POS-777f5926-2
0.291
EDJ-MED-12c4873b-5
0.291
RAL-THA-952697e1-3
0.291
MAT-UNK-88dc5cbd-1
0.290
MAT-UNK-673d6610-1
0.288
YVE-CNR-132fc2df-1
0.286
MAT-UNK-1d9ee2ed-1
0.285
BEN-DND-d1eb1f41-8
0.285
EDJ-MED-12c4873b-7
0.284
RAL-THA-952697e1-1
0.284
RAL-THA-952697e1-2
0.284
ALF-EVA-07677224-9
0.283
XIA-UNK-e3342273-1
0.282
MAT-POS-4223bc15-1
0.279
EDJ-MED-8bb691af-5
0.279
MAT-POS-5cd9ea36-4
0.278
MAT-UNK-0990acaa-1
0.278
ALP-POS-d054b76b-2
0.278
MAT-POS-4223bc15-2
0.277
DAR-DIA-6be260fc-2
0.277
ALP-POS-e0fe77e5-13
0.277
MAT-POS-4223bc15-27
0.277
MAT-POS-5cd9ea36-20
0.276
ALF-EVA-0e90125c-3
0.275
MAT-POS-43c25e9b-2
0.274
EDJ-MED-a6bd50ad-1
0.274
MIC-UNK-45817b9b-1
0.274
MAT-POS-43c25e9b-1
0.274
PET-UNK-ff046148-1
0.274
PET-UNK-615ad708-5
0.274
PET-UNK-615ad708-2
0.274
DAR-DIA-6be260fc-5
0.273
EDJ-MED-1981ceba-2
0.273
MAT-POS-4223bc15-22
0.273
EDJ-MED-1981ceba-3
0.272
BEN-DND-32596b04-8
0.272
BEN-DND-d1eb1f41-9
0.272
MAT-POS-be048f2c-3
0.271
MAT-POS-4223bc15-21
0.271
MAT-POS-4223bc15-25
0.271
EDJ-MED-c40d95bc-2
0.271
LUO-POS-ed2cfb03-2
0.271
MAT-POS-4223bc15-40
0.270
ALF-EVA-07677224-6
0.270
BEN-DND-32596b04-1
0.270
MAT-POS-5cd9ea36-9
0.270
EDJ-MED-487c5e9f-8
0.270
MAT-POS-dd3ad2b5-1
0.270
BEN-DND-f2e727cd-6
0.270
MAT-POS-be048f2c-2
0.270
MAT-POS-dc2604c4-2
0.270
EDJ-MED-e9a22d5d-1
0.269
EDJ-MED-2791eece-8
0.269
EDJ-MED-b774e9fe-3
0.269
MAT-POS-4223bc15-3
0.269
EDJ-MED-12c4873b-1
0.269
DAR-DIA-d8bd013f-3
0.269
MAT-POS-4223bc15-29
0.269
MIC-UNK-89b52b17-4
0.269
EDJ-MED-fa7708b3-1
0.269
RAL-THA-ee48ba5f-1
0.269
PET-UNK-d61f3ea6-1
0.269
DAR-DIA-d8bd013f-1
0.269
MAT-POS-5cd9ea36-14
0.269
MAT-UNK-35705829-1
0.269
DAR-DIA-5e50e037-1
0.268
DAR-DIA-4987d2cd-4
0.267
MAT-POS-4223bc15-23
0.267
MAT-POS-4223bc15-26
0.267
MIC-UNK-482af05e-2
0.267
MAT-POS-8293a91a-4
0.267
EDJ-MED-2791eece-11
0.267
MAT-POS-8293a91a-5
0.267
JOH-UNI-ededfdb6-1
0.267
RAL-THA-ee48ba5f-2
0.267
MAT-POS-4223bc15-32
0.267
MAT-UNK-f490e871-1
0.267
EDJ-MED-fa7708b3-3
0.266
XIA-UNK-c8ef6831-1
0.266
MAT-POS-4223bc15-31
0.266
ALP-POS-ecbed2ba-10
0.266
MAT-POS-fb82b63d-1
0.266
MAT-POS-be048f2c-7
0.266
MAT-POS-be048f2c-6
0.266
DAR-DIA-6be260fc-3
0.266
MAT-POS-dd3ad2b5-2
0.266
MAT-POS-dd3ad2b5-3
0.266