MMsINC Database Search


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MMsINC code: MMs01632222

Type: Neutral
Formula: C₁₅H₁₃ClFNO₂

SMILES:

Clc1cc(ccc1)CNC(=O)COc1ccc(F)cc1

InChI:

InChI=1/C15H13ClFNO2/c16-12-3-1-2-11(8-12)9-18-15(19)10-20-14-6-4-13(17)5-7-14/h1-8H,9-10H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.8122 kcal/mol

Physical Properties
Molecular Weight: 293.725 g/mol	logS: -4.405	SlogP: 3.4407	Reactive groups: 0

Topological Properties
Globularity: 0.0482739	Sterimol/B1: 2.4372	Sterimol/B2: 3.63012	Sterimol/B3: 4.62852
Sterimol/B4: 5.90895	Sterimol/L: 17.0191

Surface and Volume Properties
Accessible surface: 536.806	Positive charged surface: 264.003	Negative charged surface: 272.803	Volume: 261.75
Hydrophobic surface: 472.554	Hydrophilic surface: 64.252

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.