MMsINC Database Search


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MMsINC code: MMs02740731

Type: Neutral
Formula: C₁₈H₁₄FNO₂

SMILES:

Fc1cc2c(nc(cc2C(O)=O)-c2ccc(cc2C)C)cc1

InChI:

InChI=1/C18H14FNO2/c1-10-3-5-13(11(2)7-10)17-9-15(18(21)22)14-8-12(19)4-6-16(14)20-17/h3-9H,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.8724 kcal/mol

Physical Properties
Molecular Weight: 295.313 g/mol	logS: -5.58082	SlogP: 4.35594	Reactive groups: 0

Topological Properties
Globularity: 0.0533251	Sterimol/B1: 2.74044	Sterimol/B2: 3.92073	Sterimol/B3: 4.72776
Sterimol/B4: 5.81525	Sterimol/L: 15.3384

Surface and Volume Properties
Accessible surface: 515.2	Positive charged surface: 272.756	Negative charged surface: 233.473	Volume: 276.5
Hydrophobic surface: 416.205	Hydrophilic surface: 98.995

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02740732
PUBCHEM-ZINC00875157