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MMsINC code: MMs01658434

Type: Neutral
Formula: C₂₀H₁₈N₂O₃

SMILES:

O(C(=O)c1c2c([nH]c1)cccc2)CC(=O)N1CCCc2c1cccc2

InChI:

InChI=1/C20H18N2O3/c23-19(22-11-5-7-14-6-1-4-10-18(14)22)13-25-20(24)16-12-21-17-9-3-2-8-15(16)17/h1-4,6,8-10,12,21H,5,7,11,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2545 kcal/mol

Physical Properties
Molecular Weight: 334.375 g/mol	logS: -4.33259	SlogP: 3.30407	Reactive groups: 0

Topological Properties
Globularity: 0.00972932	Sterimol/B1: 2.66583	Sterimol/B2: 3.12519	Sterimol/B3: 3.26239
Sterimol/B4: 6.89938	Sterimol/L: 18.7564

Surface and Volume Properties
Accessible surface: 592.138	Positive charged surface: 352.114	Negative charged surface: 234.182	Volume: 319.625
Hydrophobic surface: 480.731	Hydrophilic surface: 111.407

Pharmacophoric Properties
Hydrogen bond donors: 1	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.