Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)ccc1CNCC(=O)NC1CC1)Nc1cncc2ccccc12 |
MW: | 422.15 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 83.12 |
cLogP: | 3.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-d7944b10-2
0.774
ALP-POS-d7944b10-10
0.707
BEN-DND-d1eb1f41-4
0.671
BEN-DND-d1eb1f41-6
0.644
ALP-POS-6479a3a9-2
0.633
ALP-POS-d7944b10-14
0.629
ALP-POS-d7944b10-17
0.621
ALP-POS-d7944b10-12
0.621
MIC-UNK-06e5f114-4
0.620
ALP-POS-d7944b10-15
0.612
ALP-POS-d054b76b-5
0.604
MIC-UNK-06e5f114-3
0.596
ALP-POS-d7944b10-7
0.594
MIC-UNK-06e5f114-1
0.588
ALP-POS-df536be7-6
0.585
ALP-POS-6479a3a9-1
0.584
ALP-POS-d7944b10-3
0.584
ALP-POS-d7944b10-18
0.578
RAL-THA-2d450e86-27
0.575
ALP-POS-d7944b10-5
0.574
ALP-POS-d7944b10-6
0.570
ALP-POS-d7944b10-9
0.561
MIC-UNK-06e5f114-2
0.559
RAL-THA-2d450e86-25
0.557
PET-UNK-dd44aeb6-1
0.557
PET-UNK-dd44aeb6-2
0.557
RAL-THA-2d450e86-24
0.557
ALP-POS-d7944b10-13
0.553
ALP-POS-d7944b10-4
0.552
ALP-POS-bb8a3193-6
0.547
MAT-POS-3b92565d-1
0.543
MAT-POS-bbbbc21a-1
0.543
RAL-THA-2d450e86-29
0.543
ALP-POS-d7944b10-11
0.541
MIC-UNK-df9dcda8-3
0.533
PET-UNK-dd44aeb6-3
0.527
RAL-THA-2d450e86-28
0.527
RAL-THA-2d450e86-30
0.517
MIC-UNK-df9dcda8-4
0.516
MIC-UNK-df9dcda8-1
0.510
RAL-THA-2d450e86-36
0.506
ADA-UCB-6c2cb422-1
0.506
ALP-POS-6479a3a9-3
0.505
ALP-POS-d7944b10-1
0.505
MAT-POS-fce787c2-2
0.500
MIC-UNK-df9dcda8-2
0.495
MIC-UNK-16ccb665-3
0.495
EDJ-MED-50011917-3
0.490
ALP-POS-d7944b10-16
0.490
RAL-THA-2d450e86-33
0.489
RAL-THA-2d450e86-2
0.489
MIC-UNK-37660950-4
0.486
ALP-POS-df536be7-5
0.485
PET-UNK-c5865d42-1
0.480
RAL-THA-2d450e86-26
0.478
MIC-UNK-644c43c7-3
0.475
NAU-LAT-30527ac5-1
0.475
MAT-POS-281d2ee9-1
0.475
MIC-UNK-37660950-3
0.473
NAU-LAT-2fed8305-9
0.473
RAL-THA-2d450e86-37
0.472
EDJ-MED-50011917-2
0.472
MAK-UNK-919546f0-4
0.471
EDJ-MED-50011917-1
0.471
RAL-THA-1d44ff04-3
0.469
RAL-THA-2d450e86-18
0.469
MAT-POS-3b92565d-2
0.469
ALP-POS-3b848b35-1
0.469
RAL-THA-1d44ff04-4
0.469
RAL-THA-2d450e86-6
0.468
RAL-THA-2d450e86-9
0.468
RAL-THA-2d450e86-14
0.468
RAL-THA-2d450e86-15
0.468
PET-UNK-3c72d439-1
0.468
RAL-THA-2d450e86-40
0.467
MAT-POS-afd4d4fd-2
0.467
RAL-THA-2d450e86-34
0.467
MAT-POS-afd4d4fd-3
0.467
MAT-POS-bbbbc21a-3
0.465
PET-UNK-bb7ffe78-1
0.463
NAU-LAT-2fed8305-5
0.462
MIC-UNK-37660950-2
0.462
RAL-THA-1d44ff04-6
0.460
RAL-THA-1d44ff04-11
0.460
RAL-THA-1d44ff04-10
0.459
RAL-THA-1d44ff04-13
0.459
RAL-THA-2d450e86-21
0.458
RAL-THA-2d450e86-22
0.458
RAL-THA-2d450e86-19
0.457
MAT-POS-afd4d4fd-1
0.457
RAL-THA-2d450e86-20
0.457
NAU-LAT-2fed8305-6
0.457
MAT-POS-23a8a11a-1
0.457
DAR-DIA-0587064e-3
0.456
RAL-THA-2d450e86-38
0.456
EDJ-MED-43f8f7d6-4
0.455
ALP-POS-bb8a3193-7
0.454
MAT-POS-3b92565d-3
0.453
ALP-POS-3b848b35-2
0.453
EDJ-MED-7320d5d2-1
0.453