MMsINC Database Search


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MMsINC code: MMs01541371

Type: Neutral
Formula: C₁₉H₁₄N₂O₄

SMILES:

O1c2c(ccc(c2)C)C(=CC1=O)COC(=O)c1nc2n(c1)C=CC=C2

InChI:

InChI=1/C19H14N2O4/c1-12-5-6-14-13(9-18(22)25-16(14)8-12)11-24-19(23)15-10-21-7-3-2-4-17(21)20-15/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.2718 kcal/mol

Physical Properties
Molecular Weight: 334.331 g/mol	logS: -4.81434	SlogP: 2.84842	Reactive groups: 0

Topological Properties
Globularity: 0.00328514	Sterimol/B1: 2.37442	Sterimol/B2: 2.51195	Sterimol/B3: 3.70792
Sterimol/B4: 6.0541	Sterimol/L: 19.3535

Surface and Volume Properties
Accessible surface: 591.666	Positive charged surface: 313.364	Negative charged surface: 278.302	Volume: 305.625
Hydrophobic surface: 450.778	Hydrophilic surface: 140.888

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.