MMsINC Database Search


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MMsINC code: MMs02692545

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

O=C(Nc1ccc(NC(=O)CCC)cc1)CCC

InChI:

InChI=1/C14H20N2O2/c1-3-5-13(17)15-11-7-9-12(10-8-11)16-14(18)6-4-2/h7-10H,3-6H2,1-2H3,(H,15,17)(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.1217 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -3.23776	SlogP: 3.1638	Reactive groups: 0

Topological Properties
Globularity: 0.0183735	Sterimol/B1: 2.49665	Sterimol/B2: 2.54676	Sterimol/B3: 2.99577
Sterimol/B4: 6.01212	Sterimol/L: 17.9429

Surface and Volume Properties
Accessible surface: 533.71	Positive charged surface: 377.278	Negative charged surface: 156.432	Volume: 258.5
Hydrophobic surface: 401.561	Hydrophilic surface: 132.149

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