MMsINC Database Search


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MMsINC code: MMs02711483

Type: Neutral
Formula: C₁₈H₁₄ClFN₂O₃

SMILES:

Clc1cc2c(NC(=O)C(N=C2c2ccccc2F)C(OCC)=O)cc1

InChI:

InChI=1/C18H14ClFN2O3/c1-2-25-18(24)16-17(23)21-14-8-7-10(19)9-12(14)15(22-16)11-5-3-4-6-13(11)20/h3-9,16H,2H2,1H3,(H,21,23)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.9 kcal/mol

Physical Properties
Molecular Weight: 360.772 g/mol	logS: -5.66804	SlogP: 3.2003	Reactive groups: 0

Topological Properties
Globularity: 0.205513	Sterimol/B1: 2.78268	Sterimol/B2: 4.46875	Sterimol/B3: 6.09428
Sterimol/B4: 6.93355	Sterimol/L: 15.0487

Surface and Volume Properties
Accessible surface: 568.558	Positive charged surface: 295.986	Negative charged surface: 272.572	Volume: 309.125
Hydrophobic surface: 451.208	Hydrophilic surface: 117.35

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.