MMsINC Database Search


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MMsINC code: MMs00844495

Type: Neutral
Formula: C₂₀H₁₄O₃

SMILES:

OC(=O)c1ccccc1C(=O)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C20H14O3/c21-19(17-8-4-5-9-18(17)20(22)23)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.8587 kcal/mol

Physical Properties
Molecular Weight: 302.329 g/mol	logS: -5.85347	SlogP: 4.2828	Reactive groups: 0

Topological Properties
Globularity: 0.101001	Sterimol/B1: 3.41345	Sterimol/B2: 3.98483	Sterimol/B3: 5.22948
Sterimol/B4: 5.53584	Sterimol/L: 16.0262

Surface and Volume Properties
Accessible surface: 537.299	Positive charged surface: 260.519	Negative charged surface: 265.22	Volume: 292.25
Hydrophobic surface: 433.297	Hydrophilic surface: 104.002

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00844496
CHEMDIV-ZINC00225919