MMsINC Database Search


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MMsINC code: MMs00382106

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

O=C(N1CCCCCC1)C(=O)NCc1ccccc1

InChI:

InChI=1/C15H20N2O2/c18-14(16-12-13-8-4-3-5-9-13)15(19)17-10-6-1-2-7-11-17/h3-5,8-9H,1-2,6-7,10-12H2,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.292 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -2.55351	SlogP: 1.9718	Reactive groups: 0

Topological Properties
Globularity: 0.0812831	Sterimol/B1: 3.43897	Sterimol/B2: 3.45254	Sterimol/B3: 4.07626
Sterimol/B4: 4.44046	Sterimol/L: 15.3557

Surface and Volume Properties
Accessible surface: 503.625	Positive charged surface: 352.816	Negative charged surface: 150.81	Volume: 263.5
Hydrophobic surface: 435.385	Hydrophilic surface: 68.24

Pharmacophoric Properties
Hydrogen bond donors: 1	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.