MMsINC Database Search


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MMsINC code: MMs01271600

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

o1cccc1CNC(=O)Cc1c2c([nH]c1)cccc2

InChI:

InChI=1/C15H14N2O2/c18-15(17-10-12-4-3-7-19-12)8-11-9-16-14-6-2-1-5-13(11)14/h1-7,9,16H,8,10H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.874 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -3.40185	SlogP: 2.88617	Reactive groups: 0

Topological Properties
Globularity: 0.0381872	Sterimol/B1: 2.55706	Sterimol/B2: 3.07119	Sterimol/B3: 3.42559
Sterimol/B4: 6.82963	Sterimol/L: 16.0312

Surface and Volume Properties
Accessible surface: 504.184	Positive charged surface: 285.75	Negative charged surface: 214.823	Volume: 248.875
Hydrophobic surface: 396.357	Hydrophilic surface: 107.827

Pharmacophoric Properties
Hydrogen bond donors: 2	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.