MMsINC Database Search


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MMsINC code: MMs03216428

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

Oc1cc2c(cc1)cccc2NC(=O)c1cc(NC(=O)C)ccc1

InChI:

InChI=1/C19H16N2O3/c1-12(22)20-15-6-2-5-14(10-15)19(24)21-18-7-3-4-13-8-9-16(23)11-17(13)18/h2-11,23H,1H3,(H,20,22)(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.089 kcal/mol

Physical Properties
Molecular Weight: 320.348 g/mol	logS: -5.08025	SlogP: 3.7561	Reactive groups: 0

Topological Properties
Globularity: 0.0313144	Sterimol/B1: 2.45484	Sterimol/B2: 3.87186	Sterimol/B3: 3.9248
Sterimol/B4: 6.67045	Sterimol/L: 16.9854

Surface and Volume Properties
Accessible surface: 565.301	Positive charged surface: 311.386	Negative charged surface: 243.58	Volume: 303.625
Hydrophobic surface: 429.55	Hydrophilic surface: 135.751

Pharmacophoric Properties
Hydrogen bond donors: 3	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.