MMsINC Database Search


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MMsINC code: MMs00986515

Type: Neutral
Formula: C₂₀H₁₉ClN₂O₃

SMILES:

Clc1cc(N(C(=O)COC2=CC(=O)N(c3c2cccc3)CC)C)ccc1

InChI:

InChI=1/C20H19ClN2O3/c1-3-23-17-10-5-4-9-16(17)18(12-19(23)24)26-13-20(25)22(2)15-8-6-7-14(21)11-15/h4-12H,3,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.053 kcal/mol

Physical Properties
Molecular Weight: 370.836 g/mol	logS: -5.14755	SlogP: 3.727	Reactive groups: 0

Topological Properties
Globularity: 0.0372168	Sterimol/B1: 2.99703	Sterimol/B2: 3.70949	Sterimol/B3: 4.27768
Sterimol/B4: 7.39106	Sterimol/L: 18.0934

Surface and Volume Properties
Accessible surface: 624.545	Positive charged surface: 349.151	Negative charged surface: 275.394	Volume: 344.375
Hydrophobic surface: 534.768	Hydrophilic surface: 89.777

Pharmacophoric Properties
Hydrogen bond donors: 0	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.