MMsINC Database Search


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MMsINC code: MMs00627910

Type: Neutral
Formula: C₁₅H₁₅ClN₂O

SMILES:

Clc1ccc(NC(=O)Nc2cc(ccc2)CC)cc1

InChI:

InChI=1/C15H15ClN2O/c1-2-11-4-3-5-14(10-11)18-15(19)17-13-8-6-12(16)7-9-13/h3-10H,2H2,1H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.0374 kcal/mol

Physical Properties
Molecular Weight: 274.751 g/mol	logS: -4.97548	SlogP: 4.54637	Reactive groups: 0

Topological Properties
Globularity: 0.0418024	Sterimol/B1: 2.58474	Sterimol/B2: 3.06322	Sterimol/B3: 3.35163
Sterimol/B4: 5.24323	Sterimol/L: 17.7031

Surface and Volume Properties
Accessible surface: 521.235	Positive charged surface: 284.387	Negative charged surface: 236.848	Volume: 260.75
Hydrophobic surface: 436.882	Hydrophilic surface: 84.353

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.