MMsINC Database Search


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MMsINC code: MMs02677338

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

Oc1ccc(cc1NC(=O)NC1CCCCC1)C

InChI:

InChI=1/C14H20N2O2/c1-10-7-8-13(17)12(9-10)16-14(18)15-11-5-3-2-4-6-11/h7-9,11,17H,2-6H2,1H3,(H2,15,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.0354 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -3.0113	SlogP: 3.15482	Reactive groups: 0

Topological Properties
Globularity: 0.0712305	Sterimol/B1: 2.09297	Sterimol/B2: 3.56598	Sterimol/B3: 4.16338
Sterimol/B4: 7.24107	Sterimol/L: 14.8995

Surface and Volume Properties
Accessible surface: 502.03	Positive charged surface: 361.95	Negative charged surface: 140.079	Volume: 252.375
Hydrophobic surface: 401.539	Hydrophilic surface: 100.491

Pharmacophoric Properties
Hydrogen bond donors: 3	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.