MMsINC Database Search


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MMsINC code: MMs02814110

Type: Neutral
Formula: C₁₄H₂₀N₂O₃

SMILES:

O=C(Nc1ccccc1)CCCCCCC(=O)NO

InChI:

InChI=1/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.1389 kcal/mol

Physical Properties
Molecular Weight: 264.325 g/mol	logS: -2.86674	SlogP: 2.4711	Reactive groups: 0

Topological Properties
Globularity: 0.0142529	Sterimol/B1: 2.58453	Sterimol/B2: 2.9536	Sterimol/B3: 3.22269
Sterimol/B4: 4.52397	Sterimol/L: 20.4527

Surface and Volume Properties
Accessible surface: 550.784	Positive charged surface: 373.424	Negative charged surface: 177.36	Volume: 263.75
Hydrophobic surface: 380.807	Hydrophilic surface: 169.977

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.