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MMsINC code: MMs03160593

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

O(c1cc(ccc1)C)c1cc2cc([nH]c2cc1)C(=O)NCC=C

InChI:

InChI=1/C19H18N2O2/c1-3-9-20-19(22)18-12-14-11-16(7-8-17(14)21-18)23-15-6-4-5-13(2)10-15/h3-8,10-12,21H,1,9H2,2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.2782 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -4.72669	SlogP: 4.18442	Reactive groups: 0

Topological Properties
Globularity: 0.048697	Sterimol/B1: 2.9313	Sterimol/B2: 3.58627	Sterimol/B3: 3.84943
Sterimol/B4: 4.69119	Sterimol/L: 19.834

Surface and Volume Properties
Accessible surface: 600.944	Positive charged surface: 341.825	Negative charged surface: 253.511	Volume: 306.5
Hydrophobic surface: 466.537	Hydrophilic surface: 134.407

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.