MMsINC Database Search


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MMsINC code: MMs02859627

Type: Neutral
Formula: C₂₀H₁₄O₂

SMILES:

OC1C=Cc2c(c3c4c5c(cc3)cccc5ccc4c2)C1O

InChI:

InChI=1/C20H14O2/c21-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(18(13)17(11)12)19(14)20(16)22/h1-10,16,20-22H/t16-,20+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.294 kcal/mol

Physical Properties
Molecular Weight: 286.33 g/mol	logS: -6.66672	SlogP: 4.1006	Reactive groups: 0

Topological Properties
Globularity: 0.0444121	Sterimol/B1: 3.56146	Sterimol/B2: 3.58942	Sterimol/B3: 4.04585
Sterimol/B4: 6.14256	Sterimol/L: 14.0442

Surface and Volume Properties
Accessible surface: 488.464	Positive charged surface: 260.749	Negative charged surface: 195.279	Volume: 275.25
Hydrophobic surface: 387.265	Hydrophilic surface: 101.199

Pharmacophoric Properties
Hydrogen bond donors: 2	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.