MMsINC Database Search


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MMsINC code: MMs02947567

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

O=C(N1CCCCC1)CNC(=O)Cc1ccccc1

InChI:

InChI=1/C15H20N2O2/c18-14(11-13-7-3-1-4-8-13)16-12-15(19)17-9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-12H2,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.4359 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -2.41321	SlogP: 1.35777	Reactive groups: 0

Topological Properties
Globularity: 0.0533564	Sterimol/B1: 3.14468	Sterimol/B2: 3.47894	Sterimol/B3: 3.81229
Sterimol/B4: 4.91618	Sterimol/L: 16.6258

Surface and Volume Properties
Accessible surface: 525.503	Positive charged surface: 368.391	Negative charged surface: 157.112	Volume: 264.875
Hydrophobic surface: 445.465	Hydrophilic surface: 80.038

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.