MMsINC Database Search


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MMsINC code: MMs00904498

Type: Neutral
Formula: C₁₁H₁₄FNO₂

SMILES:

Fc1ccccc1CNCCCC(O)=O

InChI:

InChI=1/C11H14FNO2/c12-10-5-2-1-4-9(10)8-13-7-3-6-11(14)15/h1-2,4-5,13H,3,6-8H2,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=10.7512 kcal/mol

Physical Properties
Molecular Weight: 211.236 g/mol	logS: -1.49989	SlogP: 2.0465	Reactive groups: 0

Topological Properties
Globularity: 0.064675	Sterimol/B1: 2.57175	Sterimol/B2: 2.79592	Sterimol/B3: 4.29386
Sterimol/B4: 4.70999	Sterimol/L: 15.423

Surface and Volume Properties
Accessible surface: 441.335	Positive charged surface: 275.494	Negative charged surface: 165.842	Volume: 203.75
Hydrophobic surface: 324.876	Hydrophilic surface: 116.459

Pharmacophoric Properties
Hydrogen bond donors: 3	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: no related molecules available.