MMsINC Database Search


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MMsINC code: MMs01628772

Type: Neutral
Formula: C₁₇H₁₈FNO

SMILES:

Fc1ccccc1CNC(=O)c1ccc(cc1)C(C)C

InChI:

InChI=1/C17H18FNO/c1-12(2)13-7-9-14(10-8-13)17(20)19-11-15-5-3-4-6-16(15)18/h3-10,12H,11H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.9203 kcal/mol

Physical Properties
Molecular Weight: 271.335 g/mol	logS: -5.09825	SlogP: 4.1455	Reactive groups: 0

Topological Properties
Globularity: 0.0677045	Sterimol/B1: 2.31804	Sterimol/B2: 2.95747	Sterimol/B3: 5.17786
Sterimol/B4: 5.79465	Sterimol/L: 15.4864

Surface and Volume Properties
Accessible surface: 532.884	Positive charged surface: 307.887	Negative charged surface: 224.997	Volume: 272.875
Hydrophobic surface: 447.343	Hydrophilic surface: 85.541

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.