MMsINC Database Search


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MMsINC code: MMs02264232

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

O=C1N(CC(CC)C)C(=O)NC1Cc1ccccc1

InChI:

InChI=1/C15H20N2O2/c1-3-11(2)10-17-14(18)13(16-15(17)19)9-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,16,19)/t11-,13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.1675 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -3.10983	SlogP: 2.19557	Reactive groups: 0

Topological Properties
Globularity: 0.0536717	Sterimol/B1: 2.36479	Sterimol/B2: 3.82742	Sterimol/B3: 4.21375
Sterimol/B4: 4.22125	Sterimol/L: 16.6788

Surface and Volume Properties
Accessible surface: 503.781	Positive charged surface: 315.636	Negative charged surface: 188.145	Volume: 264.375
Hydrophobic surface: 379.333	Hydrophilic surface: 124.448

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.