MMsINC Database Search


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MMsINC code: MMs00122852

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

o1c2c(nc1-c1cc(N)ccc1O)cc(cc2C)C

InChI:

InChI=1/C15H14N2O2/c1-8-5-9(2)14-12(6-8)17-15(19-14)11-7-10(16)3-4-13(11)18/h3-7,18H,16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.5076 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -4.69387	SlogP: 3.39944	Reactive groups: 0

Topological Properties
Globularity: 0.00849815	Sterimol/B1: 2.40205	Sterimol/B2: 2.419	Sterimol/B3: 2.50645
Sterimol/B4: 6.48647	Sterimol/L: 14.7279

Surface and Volume Properties
Accessible surface: 490.592	Positive charged surface: 314.911	Negative charged surface: 175.68	Volume: 246.375
Hydrophobic surface: 356.613	Hydrophilic surface: 133.979

Pharmacophoric Properties
Hydrogen bond donors: 2	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.