MMsINC Database Search


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MMsINC code: MMs01615956

Type: Neutral
Formula: C₁₉H₁₆FNO

SMILES:

Fc1ccc(cc1)C(NC(=O)c1cc2c(cc1)cccc2)C

InChI:

InChI=1/C19H16FNO/c1-13(14-8-10-18(20)11-9-14)21-19(22)17-7-6-15-4-2-3-5-16(15)12-17/h2-13H,1H3,(H,21,22)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.4076 kcal/mol

Physical Properties
Molecular Weight: 293.341 g/mol	logS: -5.79898	SlogP: 4.5654	Reactive groups: 0

Topological Properties
Globularity: 0.0440194	Sterimol/B1: 2.2312	Sterimol/B2: 2.26484	Sterimol/B3: 4.91422
Sterimol/B4: 6.27009	Sterimol/L: 16.5657

Surface and Volume Properties
Accessible surface: 546.509	Positive charged surface: 272.576	Negative charged surface: 262.072	Volume: 285.25
Hydrophobic surface: 492.387	Hydrophilic surface: 54.122

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