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MMsINC code: MMs01658512

Type: Neutral
Formula: C₂₀H₁₈N₂O₃

SMILES:

O(C(=O)c1c2c([nH]c1)cccc2)C(C(=O)N1CCc2c1cccc2)C

InChI:

InChI=1/C20H18N2O3/c1-13(19(23)22-11-10-14-6-2-5-9-18(14)22)25-20(24)16-12-21-17-8-4-3-7-15(16)17/h2-9,12-13,21H,10-11H2,1H3/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.2581 kcal/mol

Physical Properties
Molecular Weight: 334.375 g/mol	logS: -4.45803	SlogP: 3.30247	Reactive groups: 0

Topological Properties
Globularity: 0.0361886	Sterimol/B1: 2.22582	Sterimol/B2: 2.74491	Sterimol/B3: 4.92235
Sterimol/B4: 5.99581	Sterimol/L: 18.8017

Surface and Volume Properties
Accessible surface: 582.051	Positive charged surface: 334.41	Negative charged surface: 242.707	Volume: 320.625
Hydrophobic surface: 459.133	Hydrophilic surface: 122.918

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.