MMsINC Database Search


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MMsINC code: MMs00794022

Type: Neutral
Formula: C₁₁H₁₅FN₂O

SMILES:

Fc1ccc(cc1)CCNC(=O)N(C)C

InChI:

InChI=1/C11H15FN2O/c1-14(2)11(15)13-8-7-9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.62319 kcal/mol

Physical Properties
Molecular Weight: 210.252 g/mol	logS: -1.62269	SlogP: 1.63937	Reactive groups: 0

Topological Properties
Globularity: 0.0792524	Sterimol/B1: 2.42585	Sterimol/B2: 3.60528	Sterimol/B3: 3.64513
Sterimol/B4: 4.39554	Sterimol/L: 14.8893

Surface and Volume Properties
Accessible surface: 448.151	Positive charged surface: 316.028	Negative charged surface: 132.123	Volume: 207.875
Hydrophobic surface: 404.915	Hydrophilic surface: 43.236

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.