MMsINC Database Search


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MMsINC code: MMs03623792

Type: Neutral
Formula: C₁₅H₂₀N₂O₃

SMILES:

O(C(=O)C(NC(=O)N1CCCC1)Cc1ccccc1)C

InChI:

InChI=1/C15H20N2O3/c1-20-14(18)13(11-12-7-3-2-4-8-12)16-15(19)17-9-5-6-10-17/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,16,19)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.3036 kcal/mol

Physical Properties
Molecular Weight: 276.336 g/mol	logS: -2.28826	SlogP: 1.57607	Reactive groups: 0

Topological Properties
Globularity: 0.137487	Sterimol/B1: 2.03307	Sterimol/B2: 3.22319	Sterimol/B3: 3.7669
Sterimol/B4: 10.9425	Sterimol/L: 12.4105

Surface and Volume Properties
Accessible surface: 530.53	Positive charged surface: 381.361	Negative charged surface: 149.169	Volume: 276.125
Hydrophobic surface: 469.861	Hydrophilic surface: 60.669

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.