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MMsINC code: MMs00832265

Type: Neutral
Formula: C₂₀H₁₈FNO₂

SMILES:

Fc1ccc(-n2c(ccc2CCC(O)=O)-c2ccc(cc2)C)cc1

InChI:

InChI=1/C20H18FNO2/c1-14-2-4-15(5-3-14)19-12-10-18(11-13-20(23)24)22(19)17-8-6-16(21)7-9-17/h2-10,12H,11,13H2,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.2612 kcal/mol

Physical Properties
Molecular Weight: 323.367 g/mol	logS: -4.77576	SlogP: 4.60899	Reactive groups: 0

Topological Properties
Globularity: 0.0743521	Sterimol/B1: 2.63435	Sterimol/B2: 4.35674	Sterimol/B3: 5.3427
Sterimol/B4: 6.15649	Sterimol/L: 16.3336

Surface and Volume Properties
Accessible surface: 562.032	Positive charged surface: 310.909	Negative charged surface: 251.123	Volume: 312.25
Hydrophobic surface: 457.364	Hydrophilic surface: 104.668

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00832266
CHEMDIV-ZINC00094859