MMsINC Database Search


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MMsINC code: MMs02256017

Type: Neutral
Formula: C₁₈H₁₄O

SMILES:

Oc1ccc(cc1)-c1ccccc1-c1ccccc1

InChI:

InChI=1/C18H14O/c19-16-12-10-15(11-13-16)18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.4228 kcal/mol

Physical Properties
Molecular Weight: 246.309 g/mol	logS: -5.87569	SlogP: 4.7262	Reactive groups: 0

Topological Properties
Globularity: 0.133838	Sterimol/B1: 2.48421	Sterimol/B2: 2.97147	Sterimol/B3: 3.64096
Sterimol/B4: 8.99516	Sterimol/L: 12.621

Surface and Volume Properties
Accessible surface: 465.468	Positive charged surface: 261.593	Negative charged surface: 196.817	Volume: 254.125
Hydrophobic surface: 413.362	Hydrophilic surface: 52.106

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.