MMsINC Database Search


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MMsINC code: MMs00795282

Type: Neutral
Formula: C₂₀H₁₈N₂O₃

SMILES:

o1cccc1CNC(=O)c1cc(NC(=O)c2cc(ccc2)C)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6416 kcal/mol

Physical Properties
Molecular Weight: 334.375 g/mol	logS: -5.49439	SlogP: 4.03672	Reactive groups: 0

Topological Properties
Globularity: 0.0208156	Sterimol/B1: 2.3081	Sterimol/B2: 2.69639	Sterimol/B3: 3.99958
Sterimol/B4: 7.85269	Sterimol/L: 19.8648

Surface and Volume Properties
Accessible surface: 628.181	Positive charged surface: 337.212	Negative charged surface: 290.969	Volume: 325.375
Hydrophobic surface: 527.582	Hydrophilic surface: 100.599

Pharmacophoric Properties
Hydrogen bond donors: 2	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.