MMsINC Database Search


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MMsINC code: MMs02134037

Type: Neutral
Formula: C₁₇H₁₆N₂O₂

SMILES:

O(C)c1cc2cc([nH]c2cc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C17H16N2O2/c1-21-14-7-8-15-13(9-14)10-16(19-15)17(20)18-11-12-5-3-2-4-6-12/h2-10,19H,11H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.7131 kcal/mol

Physical Properties
Molecular Weight: 280.327 g/mol	logS: -3.79211	SlogP: 3.3729	Reactive groups: 0

Topological Properties
Globularity: 0.0357229	Sterimol/B1: 3.03633	Sterimol/B2: 3.61604	Sterimol/B3: 3.61924
Sterimol/B4: 5.6661	Sterimol/L: 17.9572

Surface and Volume Properties
Accessible surface: 551.179	Positive charged surface: 332.544	Negative charged surface: 212.25	Volume: 275.625
Hydrophobic surface: 464.265	Hydrophilic surface: 86.914

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.