MMsINC Database Search


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MMsINC code: MMs02862473

Type: Neutral
Formula: C₂₂H₁₆O₂

SMILES:

OC1c2c(-c3c(cccc3)C1O)cc1c(c3c(cc1)cccc3)c2

InChI:

InChI=1/C22H16O2/c23-21-17-8-4-3-7-16(17)19-11-14-10-9-13-5-1-2-6-15(13)18(14)12-20(19)22(21)24/h1-12,21-24H/t21-,22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.579 kcal/mol

Physical Properties
Molecular Weight: 312.368 g/mol	logS: -7.2579	SlogP: 4.9314	Reactive groups: 0

Topological Properties
Globularity: 0.0358016	Sterimol/B1: 3.65706	Sterimol/B2: 3.69956	Sterimol/B3: 3.9648
Sterimol/B4: 5.38043	Sterimol/L: 16.2811

Surface and Volume Properties
Accessible surface: 535.621	Positive charged surface: 275.973	Negative charged surface: 229.468	Volume: 301.75
Hydrophobic surface: 446.564	Hydrophilic surface: 89.057

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: 0

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Ions/Tautomers related molecules: no related molecules available.