MMsINC Database Search


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MMsINC code: MMs00584542

Type: Neutral
Formula: C₁₇H₁₄O₃

SMILES:

O1c2c(ccc(OC)c2C)C(=CC1=O)c1ccccc1

InChI:

InChI=1/C17H14O3/c1-11-15(19-2)9-8-13-14(10-16(18)20-17(11)13)12-6-4-3-5-7-12/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.1701 kcal/mol

Physical Properties
Molecular Weight: 266.296 g/mol	logS: -4.75934	SlogP: 3.17161	Reactive groups: 0

Topological Properties
Globularity: 0.0650944	Sterimol/B1: 3.35912	Sterimol/B2: 3.41778	Sterimol/B3: 4.49476
Sterimol/B4: 6.19572	Sterimol/L: 13.6117

Surface and Volume Properties
Accessible surface: 493.993	Positive charged surface: 311.121	Negative charged surface: 182.872	Volume: 256.625
Hydrophobic surface: 430.617	Hydrophilic surface: 63.376

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.