MMsINC Database Search


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MMsINC code: MMs00080739

Type: Neutral
Formula: C₁₅H₁₂O₄

SMILES:

O1c2c(-c3c(cccc3)C1=O)c(OC)cc(OC)c2

InChI:

InChI=1/C15H12O4/c1-17-9-7-12(18-2)14-10-5-3-4-6-11(10)15(16)19-13(14)8-9/h3-8H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.251 kcal/mol

Physical Properties
Molecular Weight: 256.257 g/mol	logS: -4.79232	SlogP: 2.9034	Reactive groups: 0

Topological Properties
Globularity: 0.0178097	Sterimol/B1: 2.42045	Sterimol/B2: 2.69008	Sterimol/B3: 4.18577
Sterimol/B4: 7.00195	Sterimol/L: 14.1693

Surface and Volume Properties
Accessible surface: 453.813	Positive charged surface: 294.586	Negative charged surface: 148.535	Volume: 236.125
Hydrophobic surface: 383.598	Hydrophilic surface: 70.215

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.