Molecular Properties | |
SMILES: | CN1C[C@@H](C(=O)Nc2cncc3ccc(CN4CCNCC4)cc23)c2cc(Cl)ccc21 |
MW: | 435.18 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 60.5 |
cLogP: | 3.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-12c115cc-1
ERI-UCB-b3e6b0c2-13
0.760
ERI-UCB-b3e6b0c2-3
0.719
ERI-UCB-b3e6b0c2-6
0.680
ERI-UCB-b3e6b0c2-5
0.657
ERI-UCB-8d4e5055-2
0.645
MAT-POS-8695a11f-2
0.645
ERI-UCB-b3e6b0c2-9
0.598
MAR-UCB-6ab2ec87-6
0.596
ERI-UCB-b3e6b0c2-12
0.571
ERI-UCB-b3e6b0c2-17
0.513
ERI-UCB-b3e6b0c2-14
0.509
ERI-UCB-8d4e5055-5
0.504
MAT-POS-86c60949-3
0.504
ERI-UCB-8d4e5055-1
0.492
MAK-UNK-8be7dca9-1
0.492
EDG-MED-5d232de5-5
0.455
EDG-MED-5d232de5-6
0.455
RAL-THA-8416115c-2
0.455
MIC-UNK-91acba05-6
0.455
ERI-UCB-b3e6b0c2-1
0.450
MAR-UCB-6ab2ec87-7
0.445
PET-UNK-fe31e24a-6
0.443
EDJ-MED-378a25ea-24
0.434
ERI-UCB-b3e6b0c2-2
0.434
RAL-THA-8416115c-1
0.432
ALP-POS-82da25a3-2
0.430
EDJ-MED-009f762b-1
0.427
MAT-POS-24589f88-16
0.427
DAR-DIA-0f2f46c9-13
0.427
PET-UNK-fe31e24a-5
0.427
DAR-DIA-0f2f46c9-14
0.427
ALP-POS-d054b76b-1
0.425
EDJ-MED-009f762b-4
0.424
MAT-POS-61f37a1a-13
0.424
PET-UNK-162c14b2-2
0.424
MAK-UNK-8be7dca9-8
0.422
EDJ-MED-009f762b-5
0.421
MAK-UNK-8be7dca9-4
0.421
EDJ-MED-378a25ea-34
0.421
PET-UNK-e9bc7c59-4
0.418
EDJ-MED-009f762b-3
0.417
MAT-POS-61f37a1a-5
0.417
MAT-POS-2e8b2191-10
0.413
RAL-THA-8416115c-4
0.410
PET-UNK-03fd2068-3
0.410
PET-UNK-e9bc7c59-5
0.410
DAR-DIA-0f2f46c9-4
0.409
DAR-DIA-0f2f46c9-5
0.409
DAR-DIA-0f2f46c9-6
0.409
ALP-POS-a577c8a2-2
0.409
EDJ-MED-841e0cf0-6
0.408
EDJ-MED-670ad2ee-7
0.408
EDJ-MED-670ad2ee-8
0.408
MAT-POS-e36d57d9-1
0.408
EDJ-MED-378a25ea-26
0.408
MAT-POS-2e8b2191-9
0.408
FRA-DIA-6238d354-2
0.407
RAL-THA-4aa06b95-4
0.407
EDJ-MED-009f762b-2
0.406
MAT-POS-24589f88-5
0.406
RAL-THA-4aa06b95-6
0.405
RAL-THA-8416115c-3
0.405
EDJ-MED-eb111c00-1
0.404
MIC-UNK-91acba05-2
0.404
DAR-DIA-0f2f46c9-12
0.404
MAT-POS-e119ab4f-2
0.402
MAT-POS-c7726e07-3
0.402
MAT-POS-c7726e07-4
0.402
DAR-DIA-0f2f46c9-10
0.400
BEN-DND-32596b04-1
0.400
EDJ-MED-670ad2ee-9
0.400
MAT-POS-dd3ad2b5-1
0.400
BEN-DND-f2e727cd-6
0.400
EDJ-MED-670ad2ee-10
0.400
MIC-UNK-45817b9b-2
0.400
EDJ-MED-841e0cf0-7
0.400
MAT-POS-2e8b2191-11
0.398
RAL-THA-4aa06b95-3
0.398
PET-UNK-19e211a9-10
0.397
MAT-POS-78ab8081-6
0.397
MAT-POS-97ec4bd1-3
0.397
RAL-THA-8416115c-12
0.397
RAL-THA-4aa06b95-7
0.397
RAL-THA-8416115c-9
0.397
EDG-MED-5d232de5-3
0.397
ALP-POS-966f8da6-2
0.397
RAL-THA-c11c1343-1
0.397
RAL-THA-4aa06b95-1
0.397
EDG-MED-5d232de5-4
0.397
ALP-UNI-b33a865d-1
0.395
ALP-POS-966f8da6-1
0.395
RAL-THA-8416115c-6
0.395
RAL-THA-8416115c-11
0.395
DAR-DIA-0f2f46c9-7
0.395
DAR-DIA-0f2f46c9-9
0.395
BEN-DND-d1eb1f41-10
0.395
RAL-THA-8416115c-8
0.395
MAT-POS-86c60949-2
0.395
DAR-DIA-0f2f46c9-8
0.395
MAT-POS-81ae2990-3
0.394