MMsINC Database Search


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MMsINC code: MMs00118231

Type: Neutral
Formula: C₁₈H₁₅NO₄

SMILES:

O1N=C(\C(=C/c2cc(OC)c(OC)cc2)\C1=O)c1ccccc1

InChI:

InChI=1/C18H15NO4/c1-21-15-9-8-12(11-16(15)22-2)10-14-17(19-23-18(14)20)13-6-4-3-5-7-13/h3-11H,1-2H3/b14-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=165.807 kcal/mol

Physical Properties
Molecular Weight: 309.321 g/mol	logS: -5.15777	SlogP: 3.0483	Reactive groups: 0

Topological Properties
Globularity: 0.196842	Sterimol/B1: 2.54223	Sterimol/B2: 3.7419	Sterimol/B3: 5.14997
Sterimol/B4: 7.31449	Sterimol/L: 12.5618

Surface and Volume Properties
Accessible surface: 495.188	Positive charged surface: 323.791	Negative charged surface: 171.397	Volume: 289.75
Hydrophobic surface: 391.999	Hydrophilic surface: 103.189

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.