MMsINC Database Search


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MMsINC code: MMs01149924

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O(C)c1ccc(-n2nc(cc2OC(=O)c2ccccc2C)-c2ccccc2)cc1

InChI:

InChI=1/C24H20N2O3/c1-17-8-6-7-11-21(17)24(27)29-23-16-22(18-9-4-3-5-10-18)25-26(23)19-12-14-20(28-2)15-13-19/h3-16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=157.968 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -6.88359	SlogP: 5.07552	Reactive groups: 0

Topological Properties
Globularity: 0.0234136	Sterimol/B1: 2.78284	Sterimol/B2: 3.06184	Sterimol/B3: 3.09037
Sterimol/B4: 11.5935	Sterimol/L: 16.656

Surface and Volume Properties
Accessible surface: 668.841	Positive charged surface: 390.824	Negative charged surface: 278.017	Volume: 374.875
Hydrophobic surface: 628.241	Hydrophilic surface: 40.6

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.