MMsINC Database Search


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MMsINC code: MMs02752112

Type: Neutral
Formula: C₁₇H₁₄N₂O₂

SMILES:

o1c2cc(ccc2nc1C)Cc1cc2oc(nc2cc1)C

InChI:

InChI=1/C17H14N2O2/c1-10-18-14-5-3-12(8-16(14)20-10)7-13-4-6-15-17(9-13)21-11(2)19-15/h3-6,8-9H,7H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.2053 kcal/mol

Physical Properties
Molecular Weight: 278.311 g/mol	logS: -4.74586	SlogP: 4.17661	Reactive groups: 0

Topological Properties
Globularity: 0.119333	Sterimol/B1: 2.50391	Sterimol/B2: 4.01718	Sterimol/B3: 5.06389
Sterimol/B4: 6.18071	Sterimol/L: 16.8869

Surface and Volume Properties
Accessible surface: 528.652	Positive charged surface: 322.434	Negative charged surface: 206.218	Volume: 269
Hydrophobic surface: 424.697	Hydrophilic surface: 103.955

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.