MMsINC Database Search


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MMsINC code: MMs00604033

Type: Neutral
Formula: C₁₈H₁₄O₄

SMILES:

O1c2c(cccc2)C(OC(=O)c2cc(C)c(cc2)C)=CC1=O

InChI:

InChI=1/C18H14O4/c1-11-7-8-13(9-12(11)2)18(20)22-16-10-17(19)21-15-6-4-3-5-14(15)16/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.1287 kcal/mol

Physical Properties
Molecular Weight: 294.306 g/mol	logS: -5.86893	SlogP: 3.42034	Reactive groups: 0

Topological Properties
Globularity: 0.0752823	Sterimol/B1: 2.81625	Sterimol/B2: 4.57773	Sterimol/B3: 4.8519
Sterimol/B4: 4.85578	Sterimol/L: 15.1951

Surface and Volume Properties
Accessible surface: 530.312	Positive charged surface: 281.744	Negative charged surface: 248.569	Volume: 276
Hydrophobic surface: 438.161	Hydrophilic surface: 92.151

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.