MMsINC Database Search


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MMsINC code: MMs02412594

Type: Neutral
Formula: C₁₉H₁₆O₃

SMILES:

Oc1ccc(cc1)C(c1ccc(O)cc1)c1ccc(O)cc1

InChI:

InChI=1/C19H16O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19-22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.5485 kcal/mol

Physical Properties
Molecular Weight: 292.334 g/mol	logS: -4.05787	SlogP: 3.9836	Reactive groups: 0

Topological Properties
Globularity: 0.23792	Sterimol/B1: 3.5555	Sterimol/B2: 4.22461	Sterimol/B3: 5.18986
Sterimol/B4: 7.06293	Sterimol/L: 12.7518

Surface and Volume Properties
Accessible surface: 520.717	Positive charged surface: 311.68	Negative charged surface: 209.038	Volume: 282.625
Hydrophobic surface: 365.553	Hydrophilic surface: 155.164

Pharmacophoric Properties
Hydrogen bond donors: 3	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.