MMsINC Database Search


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MMsINC code: MMs02091215

Type: Neutral
Formula: C₁₇H₁₄O₄

SMILES:

O1c2c(ccc(OC)c2)C(=O)C(OC)=C1c1ccccc1

InChI:

InChI=1/C17H14O4/c1-19-12-8-9-13-14(10-12)21-16(17(20-2)15(13)18)11-6-4-3-5-7-11/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.6458 kcal/mol

Physical Properties
Molecular Weight: 282.295 g/mol	logS: -4.68528	SlogP: 3.2855	Reactive groups: 1

Topological Properties
Globularity: 0.0481213	Sterimol/B1: 3.0342	Sterimol/B2: 3.23983	Sterimol/B3: 3.3917
Sterimol/B4: 5.95007	Sterimol/L: 15.6549

Surface and Volume Properties
Accessible surface: 507.562	Positive charged surface: 342.31	Negative charged surface: 165.252	Volume: 267.375
Hydrophobic surface: 458.714	Hydrophilic surface: 48.848

Pharmacophoric Properties
Hydrogen bond donors: 0	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.