MMsINC Database Search


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MMsINC code: MMs01424014

Type: Neutral
Formula: C₁₇H₁₃ClFNO₂

SMILES:

Clc1cccc(F)c1CN(C(=O)c1oc2c(c1)cccc2)C

InChI:

InChI=1/C17H13ClFNO2/c1-20(10-12-13(18)6-4-7-14(12)19)17(21)16-9-11-5-2-3-8-15(11)22-16/h2-9H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.0215 kcal/mol

Physical Properties
Molecular Weight: 317.747 g/mol	logS: -5.82044	SlogP: 4.7639	Reactive groups: 0

Topological Properties
Globularity: 0.0803656	Sterimol/B1: 2.93324	Sterimol/B2: 3.4093	Sterimol/B3: 4.24451
Sterimol/B4: 6.0126	Sterimol/L: 15.2658

Surface and Volume Properties
Accessible surface: 514.533	Positive charged surface: 277.651	Negative charged surface: 230.945	Volume: 281.75
Hydrophobic surface: 482.428	Hydrophilic surface: 32.105

Pharmacophoric Properties
Hydrogen bond donors: 0	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.