Molecular Properties | |
SMILES: | CNC(=O)CN1C[C@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)cc(F)c2C1=O |
MW: | 440.11 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 2.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-9f765dc6-7
1.000
DAR-DIA-9f765dc6-8
1.000
DAR-DIA-9f765dc6-10
0.772
DAR-DIA-9f765dc6-11
0.772
DAR-DIA-9f765dc6-12
0.772
MAT-POS-a54ce14d-2
0.723
EDJ-MED-015fb6b4-2
0.723
MAT-POS-a54ce14d-3
0.723
MAT-POS-acfe5bae-2
0.723
EDJ-MED-015fb6b4-3
0.691
RAL-THA-a9c31980-4
0.627
EDJ-MED-c99b2211-2
0.627
PET-UNK-f860268d-5
0.612
PET-UNK-f860268d-2
0.612
LUO-POS-868e8996-4
0.612
RAL-THA-a9c31980-1
0.612
LUO-POS-868e8996-3
0.612
JOH-UNI-6b98e24c-1
0.606
RAL-THA-a9c31980-3
0.606
EDJ-MED-43f8f7d6-3
0.606
EDJ-MED-ce467fd5-4
0.604
RAL-THA-a9c31980-5
0.600
EDJ-MED-c99b2211-1
0.594
PET-UNK-c7ac4d9e-1
0.592
PET-UNK-c7ac4d9e-2
0.592
RAL-THA-5e0a6f1a-1
0.592
MAT-POS-c7726e07-2
0.590
EDJ-MED-43f8f7d6-4
0.590
EDJ-MED-0186a59b-5
0.590
MAT-POS-c7726e07-1
0.590
MAT-POS-e119ab4f-1
0.590
RAL-THA-a9c31980-8
0.589
MAT-POS-e119ab4f-2
0.587
MAT-POS-c7726e07-3
0.587
MAT-POS-c7726e07-4
0.587
RAL-THA-a9c31980-6
0.585
DAR-DIA-9f765dc6-1
0.582
DAR-DIA-9f765dc6-3
0.582
DAR-DIA-9f765dc6-4
0.582
RAL-THA-a9c31980-2
0.579
MAT-POS-4223bc15-23
0.578
MAT-POS-8293a91a-4
0.578
MAT-POS-8293a91a-5
0.578
MIC-UNK-482af05e-4
0.578
EDJ-MED-43f8f7d6-6
0.574
RAL-THA-8416115c-10
0.573
MIC-UNK-482af05e-3
0.573
LUO-POS-edefcc0e-1
0.573
LUO-POS-74179f4f-1
0.573
EDJ-MED-0186a59b-6
0.573
RAL-THA-a9c31980-9
0.569
PET-UNK-4d432d33-1
0.569
PET-UNK-4d432d33-5
0.569
PET-UNK-4d432d33-2
0.559
EDJ-MED-eb111c00-3
0.559
PET-UNK-4d432d33-6
0.559
EDJ-MED-eb111c00-4
0.558
EDJ-MED-eb111c00-1
0.556
MIC-UNK-91acba05-2
0.556
MAT-POS-2e8b2191-7
0.552
ALP-POS-b3e0acc5-1
0.551
MIC-UNK-54748b58-1
0.547
ALP-POS-a577c8a2-2
0.545
LUO-POS-3f66b338-1
0.543
EDJ-MED-43f8f7d6-1
0.543
EDJ-MED-12c4873b-4
0.543
EDJ-MED-eb111c00-2
0.542
EDJ-MED-ce467fd5-1
0.541
EDJ-MED-827e7cb4-3
0.541
CLI-TLC-3a13eaf2-1
0.538
JOH-UNI-6b98e24c-2
0.537
MAR-UCB-6ab2ec87-6
0.535
MIC-UNK-54748b58-4
0.532
MAT-POS-2e8b2191-12
0.532
EDJ-MED-0186a59b-7
0.532
PET-UNK-37251634-3
0.532
PET-UNK-37251634-11
0.532
MAR-UCB-6ab2ec87-7
0.530
EDJ-MED-0047eae5-1
0.529
MAT-POS-acfe5bae-3
0.528
DAR-DIA-9f765dc6-13
0.527
DAR-DIA-9f765dc6-14
0.527
DAR-DIA-9f765dc6-15
0.527
MAT-POS-b4d6b7fc-2
0.526
RAL-THA-6e4c80cf-1
0.524
MAT-POS-4223bc15-19
0.524
EDJ-MED-e9a22d5d-1
0.524
MAT-POS-dd3ad2b5-5
0.524
EDJ-MED-12c4873b-2
0.523
EDJ-MED-43f8f7d6-2
0.523
LUO-POS-8701f4c8-1
0.523
MAT-POS-97ec4bd1-4
0.523
PET-UNK-c6bcc80b-3
0.522
PET-UNK-c6bcc80b-10
0.522
BEN-DND-f2e727cd-6
0.520
MAT-POS-dd3ad2b5-1
0.520
ALP-POS-d054b76b-1
0.520
EDJ-MED-12c4873b-3
0.519
MIC-UNK-482af05e-2
0.519
MAT-POS-5cd9ea36-15
0.518