Molecular Properties | |
SMILES: | O=C1C[C@H](N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)CN1 |
MW: | 420.14 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 74.33 |
cLogP: | 3.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-12c4873b-7
1.000
RAL-THA-952697e1-1
1.000
EDJ-MED-12c4873b-5
0.693
RAL-THA-952697e1-3
0.693
RAL-THA-952697e1-4
0.693
MAT-POS-777f5926-2
0.693
ALF-EVA-0e90125c-3
0.673
MAT-POS-dd3ad2b5-1
0.646
BEN-DND-f2e727cd-6
0.646
EDJ-MED-12c4873b-8
0.637
RAL-THA-8f106089-1
0.637
RAL-THA-8f106089-2
0.637
EDJ-MED-43f8f7d6-8
0.637
MAT-POS-4223bc15-21
0.636
EDJ-MED-c40d95bc-2
0.636
MAT-POS-4223bc15-25
0.636
MAT-POS-24589f88-3
0.633
PET-UNK-9b23ef84-2
0.633
MAT-POS-24589f88-2
0.633
MAT-POS-dd3ad2b5-2
0.633
MAT-POS-dd3ad2b5-3
0.633
MAT-POS-dd3ad2b5-4
0.633
MAT-POS-4223bc15-19
0.633
RAL-THA-6e4c80cf-1
0.633
MAT-POS-4223bc15-32
0.625
MAT-POS-4223bc15-27
0.624
MAT-POS-4223bc15-23
0.624
MAT-POS-4223bc15-26
0.624
MAT-POS-8293a91a-4
0.624
MAT-POS-8293a91a-5
0.624
DAR-DIA-4987d2cd-2
0.621
MAT-POS-4223bc15-15
0.621
PET-UNK-162c14b2-1
0.620
MAT-POS-4223bc15-18
0.620
MAT-POS-61f37a1a-12
0.620
RAL-THA-ee48ba5f-4
0.618
BRU-THA-d60fe444-1
0.618
DAR-DIA-d8bd013f-1
0.615
DAR-DIA-d8bd013f-3
0.615
MAT-POS-5cd9ea36-14
0.615
MAT-POS-4223bc15-1
0.614
MAT-POS-4223bc15-3
0.614
EDJ-MED-e9a22d5d-1
0.614
MAT-POS-4223bc15-17
0.614
MAT-POS-dd3ad2b5-5
0.614
MAT-POS-4223bc15-6
0.614
MAT-POS-4223bc15-37
0.613
ALF-EVA-0e90125c-1
0.613
CLI-TLC-3a13eaf2-1
0.612
MAT-POS-4223bc15-22
0.612
MAT-POS-4223bc15-24
0.612
MIC-UNK-482af05e-2
0.608
MAT-POS-4223bc15-2
0.608
PET-UNK-d61f3ea6-2
0.608
RAL-THA-ee48ba5f-5
0.608
EDJ-MED-12c4873b-3
0.608
MAT-POS-4223bc15-30
0.607
PET-UNK-9b23ef84-6
0.604
MAT-POS-4223bc15-36
0.604
MAT-POS-4223bc15-35
0.602
BRU-THA-98e973b9-1
0.602
MAT-POS-4223bc15-13
0.602
DAR-DIA-5e50e037-1
0.602
MAT-POS-be048f2c-1
0.600
MAT-POS-4223bc15-41
0.600
MAT-POS-4223bc15-38
0.598
RAL-THA-ee48ba5f-6
0.598
ALF-EVA-07677224-10
0.596
BEN-DND-32596b04-7
0.596
EDJ-MED-1981ceba-2
0.596
MIC-UNK-482af05e-1
0.596
RAL-THA-6e4c80cf-2
0.596
MAT-POS-4223bc15-20
0.596
MAT-POS-5cd9ea36-20
0.594
JOH-UNI-ededfdb6-1
0.594
DAR-DIA-4987d2cd-1
0.594
MAT-POS-5cd9ea36-13
0.594
MAT-POS-4223bc15-14
0.593
MAT-POS-4223bc15-40
0.593
EDJ-MED-c82a5324-3
0.593
MAT-POS-4223bc15-33
0.590
MAT-POS-4223bc15-5
0.590
MAT-POS-4223bc15-7
0.590
MAT-POS-4223bc15-28
0.590
MAT-POS-5cd9ea36-17
0.590
MAT-POS-5cd9ea36-2
0.590
PET-UNK-615ad708-5
0.589
PET-UNK-9b23ef84-11
0.589
DAR-DIA-d8bd013f-8
0.589
MAT-POS-5cd9ea36-15
0.589
EDJ-MED-c82a5324-1
0.589
MAT-POS-4223bc15-34
0.589
DAR-DIA-d8bd013f-4
0.589
PET-UNK-615ad708-2
0.589
PET-UNK-ff046148-1
0.589
DAR-DIA-d8bd013f-2
0.589
DAR-DIA-d8bd013f-7
0.589
MAT-POS-dc2604c4-1
0.587
ANN-CHE-e1757302-5
0.587
JOH-SUS-07b743f6-4
0.587