MMsINC Database Search


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MMsINC code: MMs01462361

Type: Neutral
Formula: C₂₀H₁₄O₃

SMILES:

o1c2c(cc(OC(=O)c3ccc(cc3)C)cc2)c2c1cccc2

InChI:

InChI=1/C20H14O3/c1-13-6-8-14(9-7-13)20(21)22-15-10-11-19-17(12-15)16-4-2-3-5-18(16)23-19/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.3714 kcal/mol

Physical Properties
Molecular Weight: 302.329 g/mol	logS: -7.26487	SlogP: 5.11362	Reactive groups: 0

Topological Properties
Globularity: 0.0350849	Sterimol/B1: 3.40574	Sterimol/B2: 3.75758	Sterimol/B3: 3.8238
Sterimol/B4: 6.12149	Sterimol/L: 18.3359

Surface and Volume Properties
Accessible surface: 554.031	Positive charged surface: 299.443	Negative charged surface: 243.729	Volume: 289.875
Hydrophobic surface: 511.389	Hydrophilic surface: 42.642

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.