MMsINC Database Search


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MMsINC code: MMs01126558

Type: Neutral
Formula: C₂₀H₁₈ClFN₂O₂

SMILES:

Clc1cc(NC(=O)N(Cc2ccc(F)cc2)Cc2oc(cc2)C)ccc1

InChI:

InChI=1/C20H18ClFN2O2/c1-14-5-10-19(26-14)13-24(12-15-6-8-17(22)9-7-15)20(25)23-18-4-2-3-16(21)11-18/h2-11H,12-13H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.6675 kcal/mol

Physical Properties
Molecular Weight: 372.827 g/mol	logS: -5.95223	SlogP: 6.14762	Reactive groups: 0

Topological Properties
Globularity: 0.146026	Sterimol/B1: 2.13351	Sterimol/B2: 4.25179	Sterimol/B3: 4.54804
Sterimol/B4: 12.1907	Sterimol/L: 14.3716

Surface and Volume Properties
Accessible surface: 633.847	Positive charged surface: 312.787	Negative charged surface: 321.061	Volume: 343.625
Hydrophobic surface: 596.959	Hydrophilic surface: 36.888

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.