MMsINC Database Search


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MMsINC code: MMs02255000

Type: Neutral
Formula: C₁₈H₁₁FO₂

SMILES:

Fc1ccc(cc1)C1OC(=O)c2c1ccc1c2cccc1

InChI:

InChI=1/C18H11FO2/c19-13-8-5-12(6-9-13)17-15-10-7-11-3-1-2-4-14(11)16(15)18(20)21-17/h1-10,17H/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.2081 kcal/mol

Physical Properties
Molecular Weight: 278.282 g/mol	logS: -5.82977	SlogP: 4.3342	Reactive groups: 0

Topological Properties
Globularity: 0.111109	Sterimol/B1: 3.16525	Sterimol/B2: 3.99041	Sterimol/B3: 4.66742
Sterimol/B4: 5.37018	Sterimol/L: 14.2196

Surface and Volume Properties
Accessible surface: 478.709	Positive charged surface: 221.407	Negative charged surface: 246.231	Volume: 255.375
Hydrophobic surface: 420.116	Hydrophilic surface: 58.593

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.