MMsINC Database Search


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MMsINC code: MMs02294703

Type: Neutral
Formula: C₁₇H₁₆O₄

SMILES:

O(c1cc(ccc1OC)C(=O)C)c1ccc(cc1)C(=O)C

InChI:

InChI=1/C17H16O4/c1-11(18)13-4-7-15(8-5-13)21-17-10-14(12(2)19)6-9-16(17)20-3/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.9509 kcal/mol

Physical Properties
Molecular Weight: 284.311 g/mol	logS: -3.84251	SlogP: 3.8927	Reactive groups: 0

Topological Properties
Globularity: 0.0728177	Sterimol/B1: 2.45488	Sterimol/B2: 4.58067	Sterimol/B3: 5.33652
Sterimol/B4: 6.12882	Sterimol/L: 14.483

Surface and Volume Properties
Accessible surface: 530.096	Positive charged surface: 324.451	Negative charged surface: 205.645	Volume: 273.875
Hydrophobic surface: 439.342	Hydrophilic surface: 90.754

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.