MMsINC Database Search


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MMsINC code: MMs02105512

Type: Neutral
Formula: C₁₆H₁₄N₂O₂

SMILES:

O(C)c1ccccc1NC(=O)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C16H14N2O2/c1-20-15-9-5-4-8-14(15)18-16(19)12-10-17-13-7-3-2-6-11(12)13/h2-10,17H,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6313 kcal/mol

Physical Properties
Molecular Weight: 266.3 g/mol	logS: -3.69515	SlogP: 3.4288	Reactive groups: 0

Topological Properties
Globularity: 0.0171517	Sterimol/B1: 2.36809	Sterimol/B2: 2.55223	Sterimol/B3: 3.16807
Sterimol/B4: 7.19732	Sterimol/L: 15.0793

Surface and Volume Properties
Accessible surface: 502.696	Positive charged surface: 302.542	Negative charged surface: 193.889	Volume: 256.75
Hydrophobic surface: 416.198	Hydrophilic surface: 86.498

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.