MMsINC Database Search


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MMsINC code: MMs02931347

Type: Neutral
Formula: C₁₁H₁₄FNO₂

SMILES:

Fc1ccc(cc1)C(=O)NC(COC)C

InChI:

InChI=1/C11H14FNO2/c1-8(7-15-2)13-11(14)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.7557 kcal/mol

Physical Properties
Molecular Weight: 211.236 g/mol	logS: -2.29584	SlogP: 1.5904	Reactive groups: 0

Topological Properties
Globularity: 0.0529226	Sterimol/B1: 2.2408	Sterimol/B2: 2.24605	Sterimol/B3: 4.14141
Sterimol/B4: 5.99147	Sterimol/L: 13.5392

Surface and Volume Properties
Accessible surface: 433.108	Positive charged surface: 286.806	Negative charged surface: 146.303	Volume: 204.25
Hydrophobic surface: 376.527	Hydrophilic surface: 56.581

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.