MMsINC Database Search


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MMsINC code: MMs01066293

Type: Neutral
Formula: C₁₅H₁₈ClFN₂O₂

SMILES:

Clc1cc(F)ccc1CNC(=O)C1N(C(C)C)C(=O)CC1

InChI:

InChI=1/C15H18ClFN2O2/c1-9(2)19-13(5-6-14(19)20)15(21)18-8-10-3-4-11(17)7-12(10)16/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,18,21)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.7448 kcal/mol

Physical Properties
Molecular Weight: 312.772 g/mol	logS: -3.51381	SlogP: 2.7611	Reactive groups: 0

Topological Properties
Globularity: 0.0986987	Sterimol/B1: 2.28135	Sterimol/B2: 2.65384	Sterimol/B3: 5.36584
Sterimol/B4: 6.13441	Sterimol/L: 15.3147

Surface and Volume Properties
Accessible surface: 534.387	Positive charged surface: 302.005	Negative charged surface: 232.382	Volume: 282.5
Hydrophobic surface: 441.438	Hydrophilic surface: 92.949

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.