MMsINC Database Search


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MMsINC code: MMs01799767

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

O=C(NC(=O)NCCc1ccccc1)CC(C)C

InChI:

InChI=1/C14H20N2O2/c1-11(2)10-13(17)16-14(18)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,15,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.1138 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -3.06058	SlogP: 2.10097	Reactive groups: 0

Topological Properties
Globularity: 0.0369747	Sterimol/B1: 2.07896	Sterimol/B2: 3.17063	Sterimol/B3: 3.61252
Sterimol/B4: 4.90771	Sterimol/L: 18.2

Surface and Volume Properties
Accessible surface: 526.758	Positive charged surface: 352.486	Negative charged surface: 174.272	Volume: 257.875
Hydrophobic surface: 388.987	Hydrophilic surface: 137.771

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.