MMsINC Database Search


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MMsINC code: MMs02265014

Type: Neutral
Formula: C₂₄H₁₈

SMILES:

c1cc(ccc1-c1ccc(cc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H18/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.343 kcal/mol

Physical Properties
Molecular Weight: 306.408 g/mol	logS: -8.66402	SlogP: 6.6876	Reactive groups: 0

Topological Properties
Globularity: 3.15044e-07	Sterimol/B1: 2.10124	Sterimol/B2: 2.10218	Sterimol/B3: 3.62822
Sterimol/B4: 3.6292	Sterimol/L: 20.6589

Surface and Volume Properties
Accessible surface: 588.213	Positive charged surface: 247.762	Negative charged surface: 307.237	Volume: 328.625
Hydrophobic surface: 588.213	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 1

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Ions/Tautomers related molecules: no related molecules available.