MMsINC Database Search


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MMsINC code: MMs00539193

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

O=C(C(=O)NCc1ccccc1)c1c2c([nH]c1-c1ccccc1)cccc2

InChI:

InChI=1/C23H18N2O2/c26-22(23(27)24-15-16-9-3-1-4-10-16)20-18-13-7-8-14-19(18)25-21(20)17-11-5-2-6-12-17/h1-14,25H,15H2,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.5373 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -6.31534	SlogP: 4.6004	Reactive groups: 0

Topological Properties
Globularity: 0.0552913	Sterimol/B1: 3.16809	Sterimol/B2: 3.77132	Sterimol/B3: 5.52847
Sterimol/B4: 7.83596	Sterimol/L: 16.878

Surface and Volume Properties
Accessible surface: 639.587	Positive charged surface: 341.432	Negative charged surface: 293.579	Volume: 348.375
Hydrophobic surface: 551.996	Hydrophilic surface: 87.591

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.