Molecular Properties | |
SMILES: | CN[C@@H]1CCc2c(NC(=O)[C@]3(OC)CCOc4ccc(Cl)cc43)cncc21 |
MW: | 387.13 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 72.48 |
cLogP: | 3.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-29afea89-2
MAR-UCB-fd2e172f-27
0.753
MAR-UCB-fd2e172f-14
0.744
MAR-UCB-fd2e172f-21
0.663
MAR-UCB-fd2e172f-22
0.632
ALP-POS-e6e0c683-2
0.632
ALP-POS-e6e0c683-1
0.625
MAR-UCB-fd2e172f-29
0.619
MAR-UCB-fd2e172f-35
0.612
ALP-POS-5de921e7-2
0.610
MAR-UCB-fd2e172f-26
0.606
MAR-UCB-fd2e172f-12
0.600
MAR-UCB-fd2e172f-30
0.588
PET-UNK-b38839dc-18
0.588
MAR-UCB-fd2e172f-41
0.588
MAR-UCB-fd2e172f-5
0.580
ALP-POS-5de921e7-1
0.579
MAR-UCB-fd2e172f-1
0.576
MAR-UCB-fd2e172f-31
0.570
MAR-UCB-fd2e172f-24
0.566
MAR-UCB-fd2e172f-25
0.566
PET-UNK-0df12184-4
0.566
PET-UNK-0df12184-5
0.566
MAR-UCB-fd2e172f-2
0.560
PET-UNK-0df12184-1
0.560
PET-UNK-0df12184-2
0.556
MAR-UCB-fd2e172f-20
0.554
MAR-UCB-fd2e172f-4
0.553
EDJ-MED-ee742daa-1
0.551
PET-UNK-c761fc18-5
0.550
EDJ-MED-d08626de-1
0.550
EDG-MED-0e5afe9d-3
0.550
PET-UNK-29afea89-2
0.550
EDJ-MED-d08626de-2
0.550
MAT-POS-a5ef2d74-2
0.545
MAT-POS-ec6d90b7-4
0.545
EDJ-MED-611d11e7-10
0.545
MAT-POS-a5ef2d74-3
0.545
PET-UNK-f4e47ebd-17
0.545
PET-UNK-0df12184-3
0.545
EDJ-MED-611d11e7-4
0.545
JOH-UNI-6e27fddc-1
0.539
PET-UNK-c761fc18-1
0.539
MAR-UCB-fd2e172f-36
0.539
PET-UNK-b38839dc-20
0.538
EDJ-MED-611d11e7-1
0.538
MAT-POS-96f51285-2
0.538
MAR-UCB-fd2e172f-7
0.538
EDG-MED-10fcb19e-5
0.537
MAR-UCB-fd2e172f-19
0.535
MAR-UCB-fd2e172f-23
0.535
PET-UNK-ee8352fa-2
0.533
ALP-POS-5de921e7-5
0.531
MAT-POS-96f51285-1
0.529
MAT-POS-24589f88-1
0.529
EDJ-MED-611d11e7-7
0.529
PET-UNK-f4e47ebd-19
0.529
PET-UNK-ee8352fa-1
0.529
ALP-POS-6f6ae286-3
0.529
PET-UNK-5d7c542f-1
0.529
ALF-EVA-82cf4849-13
0.528
MAT-POS-a2421bb6-2
0.525
MAR-UCB-fd2e172f-34
0.524
PET-UNK-b38839dc-19
0.524
PET-UNK-f4e47ebd-18
0.524
MAR-UCB-fd2e172f-43
0.524
MAR-UCB-fd2e172f-13
0.524
MAR-UCB-fd2e172f-16
0.520
MAR-UCB-fd2e172f-28
0.519
PET-UNK-ee8352fa-3
0.519
PET-UNK-5d7c542f-2
0.519
EDJ-MED-6bf93aa8-1
0.519
PET-UNK-a7639856-1
0.519
EDG-MED-10fcb19e-3
0.519
MAR-UCB-fd2e172f-8
0.515
ALP-POS-93b3621f-4
0.514
ALP-POS-93b3621f-3
0.514
EDJ-MED-1b46f08e-1
0.514
MAR-UCB-fd2e172f-10
0.510
MAR-UCB-fd2e172f-32
0.510
MAR-UCB-fd2e172f-40
0.510
EDJ-MED-d2def222-2
0.510
ALF-EVA-82cf4849-8
0.509
PET-UNK-a7639856-2
0.509
ALP-POS-5de921e7-6
0.505
JOH-UNI-99d163e5-2
0.505
MAR-UCB-fd2e172f-38
0.505
EDG-MED-10fcb19e-1
0.505
ALF-EVA-82cf4849-11
0.505
EDG-MED-10fcb19e-2
0.505
ALF-EVA-82cf4849-12
0.505
MAR-UCB-fd2e172f-6
0.500
MIC-UNK-7f86385f-5
0.500
MIC-UNK-7f86385f-1
0.500
MAR-UCB-fd2e172f-15
0.495
MAR-UCB-fd2e172f-39
0.495
MIC-UNK-7f86385f-3
0.491
MIC-UNK-7f86385f-4
0.491
MIC-UNK-7f86385f-2
0.491
JOH-UNI-99d163e5-6
0.491
JOH-UNI-99d163e5-4
0.491