MMsINC Database Search


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MMsINC code: MMs02989452

Type: Neutral
Formula: C₁₅H₂₀N₂O₄

SMILES:

O1CCCC1CNC(=O)C(=O)NCC(O)c1ccccc1

InChI:

InChI=1/C15H20N2O4/c18-13(11-5-2-1-3-6-11)10-17-15(20)14(19)16-9-12-7-4-8-21-12/h1-3,5-6,12-13,18H,4,7-10H2,(H,16,19)(H,17,20)/t12-,13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.5076 kcal/mol

Physical Properties
Molecular Weight: 292.335 g/mol	logS: -2.19606	SlogP: 0.2269	Reactive groups: 0

Topological Properties
Globularity: 0.0364015	Sterimol/B1: 3.1236	Sterimol/B2: 3.15823	Sterimol/B3: 3.91327
Sterimol/B4: 4.89692	Sterimol/L: 19.2472

Surface and Volume Properties
Accessible surface: 570.298	Positive charged surface: 378.985	Negative charged surface: 191.313	Volume: 282
Hydrophobic surface: 418.238	Hydrophilic surface: 152.06

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.