MMsINC Database Search


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MMsINC code: MMs00256864

Type: Neutral
Formula: C₁₅H₁₈N₂O₃

SMILES:

O=C1N(CCCCCC(=O)NC)C(=O)c2c1cccc2

InChI:

InChI=1/C15H18N2O3/c1-16-13(18)9-3-2-6-10-17-14(19)11-7-4-5-8-12(11)15(17)20/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.7044 kcal/mol

Physical Properties
Molecular Weight: 274.32 g/mol	logS: -2.59453	SlogP: 1.589	Reactive groups: 0

Topological Properties
Globularity: 0.0531775	Sterimol/B1: 2.19674	Sterimol/B2: 3.93861	Sterimol/B3: 4.05455
Sterimol/B4: 4.83033	Sterimol/L: 18.5936

Surface and Volume Properties
Accessible surface: 540.278	Positive charged surface: 374.229	Negative charged surface: 166.049	Volume: 267.375
Hydrophobic surface: 405.453	Hydrophilic surface: 134.825

Pharmacophoric Properties
Hydrogen bond donors: 1	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.