MMsINC Database Search


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MMsINC code: MMs00610165

Type: Neutral
Formula: C₁₉H₁₆O₄

SMILES:

O1c2c(ccc(OC(=O)c3cc(C)c(cc3)C)c2)C(=CC1=O)C

InChI:

InChI=1/C19H16O4/c1-11-4-5-14(8-12(11)2)19(21)22-15-6-7-16-13(3)9-18(20)23-17(16)10-15/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.113 kcal/mol

Physical Properties
Molecular Weight: 308.333 g/mol	logS: -6.1633	SlogP: 3.84494	Reactive groups: 0

Topological Properties
Globularity: 0.049345	Sterimol/B1: 2.83616	Sterimol/B2: 3.8	Sterimol/B3: 4.24221
Sterimol/B4: 4.3981	Sterimol/L: 17.1611

Surface and Volume Properties
Accessible surface: 556.737	Positive charged surface: 308.829	Negative charged surface: 247.908	Volume: 293.75
Hydrophobic surface: 458.496	Hydrophilic surface: 98.241

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.