MMsINC Database Search


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MMsINC code: MMs03540795

Type: Neutral
Formula: C₂₀H₁₄O

SMILES:

OC1Cc2c(C=C1)c1c3c4c(cc1)cccc4ccc3c2

InChI:

InChI=1/C20H14O/c21-16-7-9-17-15(11-16)10-14-5-4-12-2-1-3-13-6-8-18(17)20(14)19(12)13/h1-10,16,21H,11H2/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.6541 kcal/mol

Physical Properties
Molecular Weight: 270.331 g/mol	logS: -6.93073	SlogP: 4.51417	Reactive groups: 0

Topological Properties
Globularity: 0.0328623	Sterimol/B1: 3.17828	Sterimol/B2: 3.35801	Sterimol/B3: 4.33316
Sterimol/B4: 5.74938	Sterimol/L: 14.1599

Surface and Volume Properties
Accessible surface: 476.82	Positive charged surface: 255.666	Negative charged surface: 187.94	Volume: 266.25
Hydrophobic surface: 417.447	Hydrophilic surface: 59.373

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

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.