MMsINC Database Search


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MMsINC code: MMs02764675

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

O=C(NCC(=O)NC1CCCC1)c1ccc(cc1)C

InChI:

InChI=1/C15H20N2O2/c1-11-6-8-12(9-7-11)15(19)16-10-14(18)17-13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H,16,19)(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.2997 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -3.13342	SlogP: 1.78362	Reactive groups: 0

Topological Properties
Globularity: 0.0291089	Sterimol/B1: 2.67799	Sterimol/B2: 3.39666	Sterimol/B3: 3.57501
Sterimol/B4: 5.40917	Sterimol/L: 17.7862

Surface and Volume Properties
Accessible surface: 533.468	Positive charged surface: 350.904	Negative charged surface: 182.565	Volume: 266.5
Hydrophobic surface: 444.82	Hydrophilic surface: 88.648

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.