MMsINC Database Search


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MMsINC code: MMs03093974

Type: Neutral
Formula: C₁₉H₁₂O₃

SMILES:

O(C)c1c2c(ccc1)C(=O)c1c(ccc3c1cccc3)C2=O

InChI:

InChI=1/C19H12O3/c1-22-15-8-4-7-13-17(15)19(21)14-10-9-11-5-2-3-6-12(11)16(14)18(13)20/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.389 kcal/mol

Physical Properties
Molecular Weight: 288.302 g/mol	logS: -5.81326	SlogP: 3.6238	Reactive groups: 0

Topological Properties
Globularity: 0.00756087	Sterimol/B1: 2.44371	Sterimol/B2: 2.50401	Sterimol/B3: 3.36449
Sterimol/B4: 6.21318	Sterimol/L: 14.9916

Surface and Volume Properties
Accessible surface: 484.875	Positive charged surface: 282.165	Negative charged surface: 191.639	Volume: 268.875
Hydrophobic surface: 423.091	Hydrophilic surface: 61.784

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.