MMsINC Database Search


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MMsINC code: MMs01126566

Type: Neutral
Formula: C₂₀H₁₇Cl₂FN₂O₂

SMILES:

Clc1cc(Cl)ccc1NC(=O)N(Cc1ccc(F)cc1)Cc1oc(cc1)C

InChI:

InChI=1/C20H17Cl2FN2O2/c1-13-2-8-17(27-13)12-25(11-14-3-6-16(23)7-4-14)20(26)24-19-9-5-15(21)10-18(19)22/h2-10H,11-12H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.4882 kcal/mol

Physical Properties
Molecular Weight: 407.272 g/mol	logS: -6.68652	SlogP: 6.80102	Reactive groups: 0

Topological Properties
Globularity: 0.143823	Sterimol/B1: 2.12865	Sterimol/B2: 3.1022	Sterimol/B3: 5.69384
Sterimol/B4: 12.1772	Sterimol/L: 15.5317

Surface and Volume Properties
Accessible surface: 650.608	Positive charged surface: 289.994	Negative charged surface: 360.614	Volume: 355.5
Hydrophobic surface: 614.826	Hydrophilic surface: 35.782

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.