MMsINC Database Search


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MMsINC code: MMs02855957

Type: Neutral
Formula: C₂₀H₁₄O₂

SMILES:

O1c2c3c(c4c(c12)cccc4)c(c1c(cccc1)c3CO)C

InChI:

InChI=1/C20H14O2/c1-11-12-6-2-3-7-13(12)16(10-21)18-17(11)14-8-4-5-9-15(14)19-20(18)22-19/h2-9,21H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=211.907 kcal/mol

Physical Properties
Molecular Weight: 286.33 g/mol	logS: -7.40067	SlogP: 5.31902	Reactive groups: 0

Topological Properties
Globularity: 0.0163577	Sterimol/B1: 2.12723	Sterimol/B2: 2.48837	Sterimol/B3: 2.84455
Sterimol/B4: 8.07493	Sterimol/L: 14.4332

Surface and Volume Properties
Accessible surface: 478.361	Positive charged surface: 255.897	Negative charged surface: 192.268	Volume: 278.25
Hydrophobic surface: 420.939	Hydrophilic surface: 57.422

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.