MMsINC Database Search


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MMsINC code: MMs00267007

Type: Neutral
Formula: C₁₄H₁₆N₂O₃

SMILES:

OC=1c2c(NC(=O)C=1C(=O)NCCCC)cccc2

InChI:

InChI=1/C14H16N2O3/c1-2-3-8-15-13(18)11-12(17)9-6-4-5-7-10(9)16-14(11)19/h4-7H,2-3,8H2,1H3,(H,15,18)(H2,16,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.2375 kcal/mol

Physical Properties
Molecular Weight: 260.293 g/mol	logS: -3.11563	SlogP: 1.8241	Reactive groups: 0

Topological Properties
Globularity: 0.0498337	Sterimol/B1: 2.41324	Sterimol/B2: 3.48283	Sterimol/B3: 4.99299
Sterimol/B4: 5.2846	Sterimol/L: 16.8282

Surface and Volume Properties
Accessible surface: 502.065	Positive charged surface: 321.334	Negative charged surface: 180.731	Volume: 246.625
Hydrophobic surface: 339.044	Hydrophilic surface: 163.021

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.