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MMsINC code: MMs01075363

Type: Neutral
Formula: C₂₀H₁₈N₂O₃

SMILES:

O(C)c1cc2c([nH]cc2CCCN2C(=O)c3c(cccc3)C2=O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3191 kcal/mol

Physical Properties
Molecular Weight: 334.375 g/mol	logS: -4.30615	SlogP: 3.40527	Reactive groups: 0

Topological Properties
Globularity: 0.0726745	Sterimol/B1: 2.45345	Sterimol/B2: 3.73861	Sterimol/B3: 3.78116
Sterimol/B4: 8.56476	Sterimol/L: 16.7725

Surface and Volume Properties
Accessible surface: 603.254	Positive charged surface: 376.027	Negative charged surface: 222.126	Volume: 320.875
Hydrophobic surface: 468.264	Hydrophilic surface: 134.99

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.