Molecular Properties | |
SMILES: | CN1C[C@@H](C(=O)Nc2cncc3cc(CN)ccc23)c2cc(Cl)ccc21 |
MW: | 366.12 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 71.25 |
cLogP: | 3.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-12c115cc-1
ERI-UCB-b3e6b0c2-3
0.730
ERI-UCB-b3e6b0c2-13
0.719
MAR-UCB-6ab2ec87-6
0.670
ERI-UCB-b3e6b0c2-17
0.667
ERI-UCB-b3e6b0c2-10
0.620
ERI-UCB-b3e6b0c2-11
0.583
MAK-UNK-8be7dca9-5
0.577
ERI-UCB-b3e6b0c2-4
0.571
ERI-UCB-b3e6b0c2-9
0.569
EDG-MED-5d232de5-5
0.505
EDG-MED-5d232de5-6
0.505
RAL-THA-8416115c-2
0.505
MIC-UNK-91acba05-6
0.505
MAR-UCB-6ab2ec87-7
0.495
EDJ-MED-378a25ea-23
0.479
EDJ-MED-4f4dd660-2
0.479
ALP-POS-1460fd94-1
0.478
MAK-UNK-8be7dca9-2
0.476
EDJ-MED-4f4dd660-4
0.471
ALP-POS-d054b76b-1
0.471
EDJ-MED-4f4dd660-1
0.470
EDJ-MED-41558c53-9
0.466
ERI-UCB-b3e6b0c2-14
0.464
EDJ-MED-4f4dd660-6
0.463
EDJ-MED-378a25ea-33
0.463
PET-UNK-c671f938-6
0.462
EDJ-MED-4f4dd660-3
0.462
ALP-POS-82da25a3-1
0.462
PET-UNK-c671f938-2
0.462
EDJ-MED-4f4dd660-5
0.458
EDJ-MED-7889e8da-3
0.454
EDJ-MED-0186a59b-2
0.454
JAG-UCB-571deb56-5
0.454
EDJ-MED-41558c53-7
0.450
JAG-UCB-571deb56-2
0.450
ALF-EVA-5b152d2f-8
0.449
EDJ-MED-41558c53-11
0.449
EDJ-MED-eb111c00-1
0.447
MIC-UNK-91acba05-2
0.447
DAR-DIA-0f2f46c9-12
0.447
EDJ-MED-7889e8da-4
0.446
EDJ-MED-be9e6f63-4
0.446
EDJ-MED-41558c53-3
0.445
PET-UNK-03fd2068-4
0.444
DAR-DIA-0f2f46c9-11
0.443
MIC-UNK-45817b9b-2
0.442
ERI-UCB-b3e6b0c2-1
0.442
JAG-UCB-571deb56-4
0.441
LUO-POS-edefcc0e-1
0.440
EDJ-MED-0186a59b-6
0.440
LUO-POS-74179f4f-1
0.440
EDJ-MED-ede277f6-4
0.440
JAG-UCB-571deb56-3
0.440
MAT-POS-7ddaf7de-1
0.440
RAL-THA-8416115c-4
0.439
RAL-THA-4aa06b95-3
0.439
ALP-POS-a577c8a2-2
0.438
RAL-THA-4aa06b95-1
0.438
EDG-MED-5d232de5-3
0.438
ALP-POS-966f8da6-2
0.438
EDG-MED-5d232de5-4
0.438
RAL-THA-c11c1343-1
0.438
PET-UNK-c671f938-7
0.438
EDJ-MED-41558c53-10
0.438
PET-UNK-c671f938-3
0.438
EDJ-MED-be9e6f63-1
0.437
PET-UNK-c671f938-1
0.436
PET-UNK-c671f938-5
0.436
EDJ-MED-f9b78f78-5
0.436
RAL-THA-8416115c-8
0.435
EDJ-MED-41558c53-1
0.435
MAT-POS-4223bc15-6
0.435
MAK-UNK-8be7dca9-1
0.435
ERI-UCB-8d4e5055-1
0.435
RAL-THA-8416115c-3
0.434
RAL-THA-4aa06b95-6
0.434
EDJ-MED-0186a59b-1
0.434
BEN-DND-f06bfa8e-2
0.434
JAG-UCB-571deb56-1
0.434
EDJ-MED-7889e8da-1
0.434
ALP-POS-6f6ae286-5
0.434
ALP-POS-d054b76b-3
0.432
EDJ-MED-378a25ea-9
0.432
EDJ-MED-7889e8da-6
0.432
EDJ-MED-12c4873b-3
0.431
EDJ-MED-41558c53-5
0.430
JAG-UCB-571deb56-6
0.430
EDJ-MED-378a25ea-11
0.429
EDJ-MED-ede277f6-6
0.429
MAT-POS-dd3ad2b5-1
0.429
BEN-DND-f2e727cd-6
0.429
JAG-UCB-571deb56-7
0.427
EDJ-MED-41558c53-8
0.427
EDJ-MED-41558c53-13
0.427
PET-UNK-ff046148-4
0.426
RAL-THA-4aa06b95-2
0.426
EDJ-MED-ede277f6-1
0.425
EDJ-MED-ede277f6-2
0.425
MAT-POS-c7726e07-8
0.425
MAT-POS-c7726e07-7
0.425