MMsINC Database Search


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MMsINC code: MMs02342507

Type: Neutral
Formula: C₁₉H₁₄O₃

SMILES:

O(C(=O)c1ccccc1)C1c2c3c(cccc3ccc2)C1O

InChI:

InChI=1/C19H14O3/c20-17-14-10-4-8-12-9-5-11-15(16(12)14)18(17)22-19(21)13-6-2-1-3-7-13/h1-11,17-18,20H/t17-,18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.6628 kcal/mol

Physical Properties
Molecular Weight: 290.318 g/mol	logS: -5.33225	SlogP: 3.9759	Reactive groups: 0

Topological Properties
Globularity: 0.100902	Sterimol/B1: 3.00795	Sterimol/B2: 4.39245	Sterimol/B3: 4.79267
Sterimol/B4: 5.56986	Sterimol/L: 15.2001

Surface and Volume Properties
Accessible surface: 524.472	Positive charged surface: 270.384	Negative charged surface: 242.58	Volume: 276.25
Hydrophobic surface: 451.438	Hydrophilic surface: 73.034

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.