MMsINC Database Search


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MMsINC code: MMs02139301

Type: Neutral
Formula: C₁₀H₁₁ClFNO

SMILES:

Clc1cccc(F)c1CCNC(=O)C

InChI:

InChI=1/C10H11ClFNO/c1-7(14)13-6-5-8-9(11)3-2-4-10(8)12/h2-4H,5-6H2,1H3,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.6045 kcal/mol

Physical Properties
Molecular Weight: 215.655 g/mol	logS: -2.62911	SlogP: 2.15767	Reactive groups: 0

Topological Properties
Globularity: 0.0650023	Sterimol/B1: 3.22163	Sterimol/B2: 3.42654	Sterimol/B3: 3.85219
Sterimol/B4: 4.75876	Sterimol/L: 13.4899

Surface and Volume Properties
Accessible surface: 409.894	Positive charged surface: 207.705	Negative charged surface: 202.189	Volume: 193.875
Hydrophobic surface: 354.067	Hydrophilic surface: 55.827

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.