MMsINC Database Search


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MMsINC code: MMs03173098

Type: Neutral
Formula: C₁₄H₁₂O₃

SMILES:

o1c2c(cc(OC)cc2)c2cc(OC)ccc12

InChI:

InChI=1/C14H12O3/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14(12)17-13/h3-8H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.7451 kcal/mol

Physical Properties
Molecular Weight: 228.247 g/mol	logS: -4.77765	SlogP: 3.6032	Reactive groups: 0

Topological Properties
Globularity: 0.00777696	Sterimol/B1: 2.35887	Sterimol/B2: 2.37454	Sterimol/B3: 2.37613
Sterimol/B4: 5.40637	Sterimol/L: 14.9881

Surface and Volume Properties
Accessible surface: 442.27	Positive charged surface: 302.512	Negative charged surface: 127.842	Volume: 219.25
Hydrophobic surface: 409.763	Hydrophilic surface: 32.507

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.