MMsINC Database Search


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MMsINC code: MMs00986202

Type: Neutral
Formula: C₁₈H₁₄ClFN₂O₃

SMILES:

Clc1cc(F)ccc1NC(=O)COC1=CC(=O)N(c2c1cccc2)C

InChI:

InChI=1/C18H14ClFN2O3/c1-22-15-5-3-2-4-12(15)16(9-18(22)24)25-10-17(23)21-14-7-6-11(20)8-13(14)19/h2-9H,10H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.6973 kcal/mol

Physical Properties
Molecular Weight: 360.772 g/mol	logS: -5.22131	SlogP: 3.4517	Reactive groups: 0

Topological Properties
Globularity: 0.0123909	Sterimol/B1: 2.6417	Sterimol/B2: 3.19972	Sterimol/B3: 3.32075
Sterimol/B4: 7.10607	Sterimol/L: 17.4312

Surface and Volume Properties
Accessible surface: 583.499	Positive charged surface: 305.724	Negative charged surface: 277.776	Volume: 310.875
Hydrophobic surface: 499.16	Hydrophilic surface: 84.339

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.