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MMsINC code: MMs03330470

Type: Neutral
Formula: C₁₅H₂₀N₂O₄

SMILES:

OC(=O)C(NC(=O)CNC(=O)Cc1ccccc1)C(C)C

InChI:

InChI=1/C15H20N2O4/c1-10(2)14(15(20)21)17-13(19)9-16-12(18)8-11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.3464 kcal/mol

Physical Properties
Molecular Weight: 292.335 g/mol	logS: -2.49164	SlogP: 0.57067	Reactive groups: 0

Topological Properties
Globularity: 0.0373495	Sterimol/B1: 3.27179	Sterimol/B2: 3.3347	Sterimol/B3: 3.41385
Sterimol/B4: 5.38511	Sterimol/L: 17.6057

Surface and Volume Properties
Accessible surface: 552.754	Positive charged surface: 363.53	Negative charged surface: 189.224	Volume: 281.5
Hydrophobic surface: 356.118	Hydrophilic surface: 196.636

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

MMs03330471
PUBCHEM-ZINC05633359