MMsINC Database Search


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MMsINC code: MMs02652541

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

O(C)c1cc(-n2c3c(nc2)cccc3)ccc1OC

InChI:

InChI=1/C15H14N2O2/c1-18-14-8-7-11(9-15(14)19-2)17-10-16-12-5-3-4-6-13(12)17/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.379 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -3.62321	SlogP: 3.0427	Reactive groups: 0

Topological Properties
Globularity: 0.0670764	Sterimol/B1: 2.13364	Sterimol/B2: 3.25852	Sterimol/B3: 3.2597
Sterimol/B4: 7.40738	Sterimol/L: 14.2978

Surface and Volume Properties
Accessible surface: 484.761	Positive charged surface: 339.35	Negative charged surface: 145.411	Volume: 248.25
Hydrophobic surface: 438.137	Hydrophilic surface: 46.624

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.