MMsINC Database Search


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MMsINC code: MMs01283319

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

O(CC(=O)NCCCC)c1cc(ccc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C20H24N2O3/c1-2-3-12-21-19(23)15-25-18-11-7-10-17(13-18)20(24)22-14-16-8-5-4-6-9-16/h4-11,13H,2-3,12,14-15H2,1H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.8387 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -4.56606	SlogP: 3.1781	Reactive groups: 0

Topological Properties
Globularity: 0.0166557	Sterimol/B1: 3.61709	Sterimol/B2: 3.61849	Sterimol/B3: 3.96384
Sterimol/B4: 4.60154	Sterimol/L: 24.053

Surface and Volume Properties
Accessible surface: 679.203	Positive charged surface: 437.707	Negative charged surface: 241.496	Volume: 346.375
Hydrophobic surface: 549.746	Hydrophilic surface: 129.457

Pharmacophoric Properties
Hydrogen bond donors: 2	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.