MMsINC Database Search


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MMsINC code: MMs01228538

Type: Neutral
Formula: C₁₃H₁₂FNO₂

SMILES:

Fc1ccc(cc1)CCNC(=O)c1occc1

InChI:

InChI=1/C13H12FNO2/c14-11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-17-12/h1-6,9H,7-8H2,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.7152 kcal/mol

Physical Properties
Molecular Weight: 233.242 g/mol	logS: -3.40693	SlogP: 2.39117	Reactive groups: 0

Topological Properties
Globularity: 0.0609438	Sterimol/B1: 3.43201	Sterimol/B2: 3.62296	Sterimol/B3: 3.64317
Sterimol/B4: 3.65113	Sterimol/L: 16.3075

Surface and Volume Properties
Accessible surface: 460.217	Positive charged surface: 242.674	Negative charged surface: 217.543	Volume: 219.375
Hydrophobic surface: 400.439	Hydrophilic surface: 59.778

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.