MMsINC Database Search


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MMsINC code: MMs00627075

Type: Neutral
Formula: C₁₇H₁₄N₂O₂

SMILES:

O(C)c1c2c(ccc1C(=O)Nc1ccncc1)cccc2

InChI:

InChI=1/C17H14N2O2/c1-21-16-14-5-3-2-4-12(14)6-7-15(16)17(20)19-13-8-10-18-11-9-13/h2-11H,1H3,(H,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.2633 kcal/mol

Physical Properties
Molecular Weight: 278.311 g/mol	logS: -4.02499	SlogP: 3.4957	Reactive groups: 0

Topological Properties
Globularity: 0.0354724	Sterimol/B1: 2.09544	Sterimol/B2: 2.52633	Sterimol/B3: 4.05704
Sterimol/B4: 7.30532	Sterimol/L: 15.8026

Surface and Volume Properties
Accessible surface: 500.473	Positive charged surface: 330.333	Negative charged surface: 159.894	Volume: 268.875
Hydrophobic surface: 454.144	Hydrophilic surface: 46.329

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.