MMsINC Database Search


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MMsINC code: MMs00488345

Type: Neutral
Formula: C₂₀H₁₅NO₂

SMILES:

O=C1N(c2cc(ccc2C)C)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C20H15NO2/c1-12-9-10-13(2)17(11-12)21-19(22)15-7-3-5-14-6-4-8-16(18(14)15)20(21)23/h3-11H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.161 kcal/mol

Physical Properties
Molecular Weight: 301.345 g/mol	logS: -6.27086	SlogP: 4.25724	Reactive groups: 0

Topological Properties
Globularity: 0.166081	Sterimol/B1: 2.289	Sterimol/B2: 4.8352	Sterimol/B3: 4.84475
Sterimol/B4: 7.06377	Sterimol/L: 14.3031

Surface and Volume Properties
Accessible surface: 520.745	Positive charged surface: 276.474	Negative charged surface: 234.047	Volume: 292
Hydrophobic surface: 471.672	Hydrophilic surface: 49.073

Pharmacophoric Properties
Hydrogen bond donors: 0	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.