MMsINC Database Search


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MMsINC code: MMs01012739

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

O(C(=O)c1[nH]c2c(cc(cc2)C)c1-n1cccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.9425 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -2.84444	SlogP: 3.05362	Reactive groups: 0

Topological Properties
Globularity: 0.0526934	Sterimol/B1: 3.30569	Sterimol/B2: 3.49617	Sterimol/B3: 5.29929
Sterimol/B4: 5.70316	Sterimol/L: 13.6791

Surface and Volume Properties
Accessible surface: 494.983	Positive charged surface: 311.005	Negative charged surface: 179.192	Volume: 248.875
Hydrophobic surface: 413.804	Hydrophilic surface: 81.179

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.