MMsINC Database Search


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MMsINC code: MMs01060438

Type: Neutral
Formula: C₁₈H₁₆N₂O₃

SMILES:

O(C)c1ccc(NC(=O)c2cc(n3c2C=CC=C3)C(=O)C)cc1

InChI:

InChI=1/C18H16N2O3/c1-12(21)17-11-15(16-5-3-4-10-20(16)17)18(22)19-13-6-8-14(23-2)9-7-13/h3-11H,1-2H3,(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.3836 kcal/mol

Physical Properties
Molecular Weight: 308.337 g/mol	logS: -3.26138	SlogP: 3.4491	Reactive groups: 0

Topological Properties
Globularity: 0.0159654	Sterimol/B1: 2.15384	Sterimol/B2: 2.71707	Sterimol/B3: 3.13144
Sterimol/B4: 9.12672	Sterimol/L: 17.0287

Surface and Volume Properties
Accessible surface: 552.393	Positive charged surface: 319.39	Negative charged surface: 233.003	Volume: 293.5
Hydrophobic surface: 467.707	Hydrophilic surface: 84.686

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.