MMsINC Database Search


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MMsINC code: MMs00603486

Type: Neutral
Formula: C₁₅H₁₄FNO

SMILES:

Fc1ccc(cc1)C(=O)Nc1cccc(C)c1C

InChI:

InChI=1/C15H14FNO/c1-10-4-3-5-14(11(10)2)17-15(18)12-6-8-13(16)9-7-12/h3-9H,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0086 kcal/mol

Physical Properties
Molecular Weight: 243.281 g/mol	logS: -4.28424	SlogP: 3.69484	Reactive groups: 0

Topological Properties
Globularity: 0.0192731	Sterimol/B1: 2.32288	Sterimol/B2: 2.71289	Sterimol/B3: 2.986
Sterimol/B4: 5.71222	Sterimol/L: 14.9459

Surface and Volume Properties
Accessible surface: 463.98	Positive charged surface: 242.557	Negative charged surface: 221.422	Volume: 237.25
Hydrophobic surface: 433.718	Hydrophilic surface: 30.262

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.