MMsINC Database Search


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MMsINC code: MMs00672996

Type: Neutral
Formula: C₁₄H₂₀N₂O₃

SMILES:

O(C(=O)c1ccc(NC(=O)N(CC)CC)cc1)CC

InChI:

InChI=1/C14H20N2O3/c1-4-16(5-2)14(18)15-12-9-7-11(8-10-12)13(17)19-6-3/h7-10H,4-6H2,1-3H3,(H,15,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.6218 kcal/mol

Physical Properties
Molecular Weight: 264.325 g/mol	logS: -2.68556	SlogP: 2.737	Reactive groups: 0

Topological Properties
Globularity: 0.0582745	Sterimol/B1: 2.03519	Sterimol/B2: 2.76688	Sterimol/B3: 5.16222
Sterimol/B4: 5.68418	Sterimol/L: 16.3112

Surface and Volume Properties
Accessible surface: 541.025	Positive charged surface: 370.232	Negative charged surface: 170.792	Volume: 267.5
Hydrophobic surface: 409.922	Hydrophilic surface: 131.103

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.