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MMsINC code: MMs03884862

Type: Neutral
Formula: C₂₀H₂₁N₃O₄

SMILES:

OC1=C(C(=O)c2ccncc2)C(N(CCN(C)C)C1=O)c1ccc(O)cc1

InChI:

InChI=1/C20H21N3O4/c1-22(2)11-12-23-17(13-3-5-15(24)6-4-13)16(19(26)20(23)27)18(25)14-7-9-21-10-8-14/h3-10,17,24,26H,11-12H2,1-2H3/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.314 kcal/mol

Physical Properties
Molecular Weight: 367.405 g/mol	logS: -2.1404	SlogP: 2.0226	Reactive groups: 1

Topological Properties
Globularity: 0.149324	Sterimol/B1: 3.64191	Sterimol/B2: 5.13026	Sterimol/B3: 5.30934
Sterimol/B4: 6.19575	Sterimol/L: 15.9172

Surface and Volume Properties
Accessible surface: 601.691	Positive charged surface: 432.828	Negative charged surface: 168.863	Volume: 347.75
Hydrophobic surface: 423.967	Hydrophilic surface: 177.724

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 6	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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