MMsINC Database Search


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MMsINC code: MMs01040166

Type: Neutral
Formula: C₂₂H₁₆ClFN₂O₂

SMILES:

Clc1cccc(F)c1CN1c2c(cccc2)C(=O)N(Cc2ccccc2)C1=O

InChI:

InChI=1/C22H16ClFN2O2/c23-18-10-6-11-19(24)17(18)14-25-20-12-5-4-9-16(20)21(27)26(22(25)28)13-15-7-2-1-3-8-15/h1-12H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.3662 kcal/mol

Physical Properties
Molecular Weight: 394.833 g/mol	logS: -6.29099	SlogP: 5.7945	Reactive groups: 0

Topological Properties
Globularity: 0.229204	Sterimol/B1: 2.55213	Sterimol/B2: 5.67766	Sterimol/B3: 5.86876
Sterimol/B4: 6.49076	Sterimol/L: 12.8514

Surface and Volume Properties
Accessible surface: 575.015	Positive charged surface: 311.801	Negative charged surface: 263.214	Volume: 349.625
Hydrophobic surface: 518.41	Hydrophilic surface: 56.605

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.