MMsINC Database Search


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MMsINC code: MMs01310197

Type: Neutral
Formula: C₁₅H₁₄ClFN₂O₂

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)N1CCCC1

InChI:

InChI=1/C15H14ClFN2O2/c1-9-12(15(20)19-7-2-3-8-19)14(18-21-9)13-10(16)5-4-6-11(13)17/h4-6H,2-3,7-8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.9642 kcal/mol

Physical Properties
Molecular Weight: 308.74 g/mol	logS: -4.36159	SlogP: 3.67852	Reactive groups: 0

Topological Properties
Globularity: 0.244875	Sterimol/B1: 2.56999	Sterimol/B2: 3.83592	Sterimol/B3: 4.98982
Sterimol/B4: 8.15014	Sterimol/L: 11.57

Surface and Volume Properties
Accessible surface: 500.259	Positive charged surface: 266.395	Negative charged surface: 233.864	Volume: 269.875
Hydrophobic surface: 460.119	Hydrophilic surface: 40.14

Pharmacophoric Properties
Hydrogen bond donors: 0	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.