MMsINC Database Search


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MMsINC code: MMs00017786

Type: Neutral
Formula: C₂₄H₂₂N₂O₃

SMILES:

O1C2(c3c(cccc3)C1=O)c1c(Oc3c2ccc(N(C)C)c3)cc(N(C)C)cc1

InChI:

InChI=1/C24H22N2O3/c1-25(2)15-9-11-19-21(13-15)28-22-14-16(26(3)4)10-12-20(22)24(19)18-8-6-5-7-17(18)23(27)29-24/h5-14H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.359 kcal/mol

Physical Properties
Molecular Weight: 386.451 g/mol	logS: -5.82858	SlogP: 4.6981	Reactive groups: 0

Topological Properties
Globularity: 0.108506	Sterimol/B1: 3.94991	Sterimol/B2: 3.9619	Sterimol/B3: 5.44362
Sterimol/B4: 8.60542	Sterimol/L: 16.1967

Surface and Volume Properties
Accessible surface: 636.067	Positive charged surface: 445.693	Negative charged surface: 190.373	Volume: 371.25
Hydrophobic surface: 583.077	Hydrophilic surface: 52.99

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.