MMsINC Database Search


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MMsINC code: MMs00427907

Type: Neutral
Formula: C₁₅H₁₈ClFN₂O₃

SMILES:

Clc1cc(NC(=O)C2CC(=O)N(C2)C(COC)C)ccc1F

InChI:

InChI=1/C15H18ClFN2O3/c1-9(8-22-2)19-7-10(5-14(19)20)15(21)18-11-3-4-13(17)12(16)6-11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,18,21)/t9-,10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.1505 kcal/mol

Physical Properties
Molecular Weight: 328.771 g/mol	logS: -2.93991	SlogP: 2.301	Reactive groups: 0

Topological Properties
Globularity: 0.0901688	Sterimol/B1: 3.19871	Sterimol/B2: 3.8557	Sterimol/B3: 4.21947
Sterimol/B4: 6.01211	Sterimol/L: 14.8796

Surface and Volume Properties
Accessible surface: 541.939	Positive charged surface: 342.179	Negative charged surface: 199.76	Volume: 290
Hydrophobic surface: 469.127	Hydrophilic surface: 72.812

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.