MMsINC Database Search


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MMsINC code: MMs01749796

Type: Neutral
Formula: C₁₄H₁₅FN₂O

SMILES:

Fc1cc2cc(C(=O)NC(C)C)c(nc2cc1)C

InChI:

InChI=1/C14H15FN2O/c1-8(2)16-14(18)12-7-10-6-11(15)4-5-13(10)17-9(12)3/h4-8H,1-3H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.9253 kcal/mol

Physical Properties
Molecular Weight: 246.285 g/mol	logS: -3.38234	SlogP: 2.82052	Reactive groups: 0

Topological Properties
Globularity: 0.0473055	Sterimol/B1: 2.1998	Sterimol/B2: 3.19813	Sterimol/B3: 3.46351
Sterimol/B4: 7.75009	Sterimol/L: 14.2071

Surface and Volume Properties
Accessible surface: 472.318	Positive charged surface: 282.846	Negative charged surface: 183.91	Volume: 238.25
Hydrophobic surface: 390.778	Hydrophilic surface: 81.54

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.