MMsINC Database Search


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MMsINC code: MMs00607926

Type: Neutral
Formula: C₁₈H₁₅FO₃

SMILES:

Fc1cc(ccc1)COc1cc2OC(=O)C=C(c2cc1)CC

InChI:

InChI=1/C18H15FO3/c1-2-13-9-18(20)22-17-10-15(6-7-16(13)17)21-11-12-4-3-5-14(19)8-12/h3-10H,2,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.8508 kcal/mol

Physical Properties
Molecular Weight: 298.313 g/mol	logS: -5.72988	SlogP: 4.3835	Reactive groups: 0

Topological Properties
Globularity: 0.0526742	Sterimol/B1: 2.41855	Sterimol/B2: 3.28763	Sterimol/B3: 4.28398
Sterimol/B4: 7.2061	Sterimol/L: 16.3028

Surface and Volume Properties
Accessible surface: 536.588	Positive charged surface: 288.95	Negative charged surface: 247.638	Volume: 278.375
Hydrophobic surface: 439.877	Hydrophilic surface: 96.711

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.