MMsINC Database Search


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MMsINC code: MMs01794189

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

O=C1N(CCCc2ccccc2)C(=O)NC1C(C)C

InChI:

InChI=1/C15H20N2O2/c1-11(2)13-14(18)17(15(19)16-13)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,16,19)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.0662 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -2.79638	SlogP: 2.19557	Reactive groups: 0

Topological Properties
Globularity: 0.0673019	Sterimol/B1: 2.56687	Sterimol/B2: 4.08039	Sterimol/B3: 4.32313
Sterimol/B4: 4.43688	Sterimol/L: 16.226

Surface and Volume Properties
Accessible surface: 518.089	Positive charged surface: 328.412	Negative charged surface: 189.677	Volume: 265.875
Hydrophobic surface: 387.758	Hydrophilic surface: 130.331

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.