MMsINC Database Search


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MMsINC code: MMs00534582

Type: Neutral
Formula: C₁₆H₁₄ClFN₂O₂

SMILES:

Clc1ccc(cc1)CCNC(=O)C(=O)Nc1ccccc1F

InChI:

InChI=1/C16H14ClFN2O2/c17-12-7-5-11(6-8-12)9-10-19-15(21)16(22)20-14-4-2-1-3-13(14)18/h1-8H,9-10H2,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.7023 kcal/mol

Physical Properties
Molecular Weight: 320.751 g/mol	logS: -4.61818	SlogP: 2.77647	Reactive groups: 0

Topological Properties
Globularity: 0.0302749	Sterimol/B1: 2.53333	Sterimol/B2: 3.30895	Sterimol/B3: 3.64844
Sterimol/B4: 5.49534	Sterimol/L: 19.9194

Surface and Volume Properties
Accessible surface: 564.675	Positive charged surface: 279.824	Negative charged surface: 284.852	Volume: 284.625
Hydrophobic surface: 469.688	Hydrophilic surface: 94.987

Pharmacophoric Properties
Hydrogen bond donors: 2	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.