MMsINC Database Search


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MMsINC code: MMs00361942

Type: Neutral
Formula: C₁₄H₂₀N₂O₃

SMILES:

O(C)c1ccc(cc1)CCNC(=O)C(=O)NCCC

InChI:

InChI=1/C14H20N2O3/c1-3-9-15-13(17)14(18)16-10-8-11-4-6-12(19-2)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,15,17)(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.2148 kcal/mol

Physical Properties
Molecular Weight: 264.325 g/mol	logS: -2.34441	SlogP: 0.88007	Reactive groups: 0

Topological Properties
Globularity: 0.0301983	Sterimol/B1: 3.26064	Sterimol/B2: 3.27879	Sterimol/B3: 3.47998
Sterimol/B4: 4.14143	Sterimol/L: 20.2221

Surface and Volume Properties
Accessible surface: 549.123	Positive charged surface: 389.363	Negative charged surface: 159.761	Volume: 268.625
Hydrophobic surface: 416.585	Hydrophilic surface: 132.538

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.