MMsINC Database Search


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MMsINC code: MMs00798770

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₃

SMILES:

Clc1ccc(OC(C(=O)Nc2ccccc2NC(=O)C)C)cc1C

InChI:

InChI=1/C18H19ClN2O3/c1-11-10-14(8-9-15(11)19)24-12(2)18(23)21-17-7-5-4-6-16(17)20-13(3)22/h4-10,12H,1-3H3,(H,20,22)(H,21,23)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.337 kcal/mol

Physical Properties
Molecular Weight: 346.814 g/mol	logS: -4.86311	SlogP: 4.01282	Reactive groups: 0

Topological Properties
Globularity: 0.0603252	Sterimol/B1: 3.09629	Sterimol/B2: 3.22529	Sterimol/B3: 4.52332
Sterimol/B4: 7.77166	Sterimol/L: 16.7752

Surface and Volume Properties
Accessible surface: 617.82	Positive charged surface: 328.438	Negative charged surface: 289.382	Volume: 323
Hydrophobic surface: 519.866	Hydrophilic surface: 97.954

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.