MMsINC Database Search


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MMsINC code: MMs02269159

Type: Neutral
Formula: C₁₄H₂₀N₂O₃

SMILES:

OC(=O)C(NCc1ccccc1)CC(=O)NC(C)C

InChI:

InChI=1/C14H20N2O3/c1-10(2)16-13(17)8-12(14(18)19)15-9-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,16,17)(H,18,19)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.3152 kcal/mol

Physical Properties
Molecular Weight: 264.325 g/mol	logS: -1.83013	SlogP: 1.4105	Reactive groups: 0

Topological Properties
Globularity: 0.062012	Sterimol/B1: 2.53369	Sterimol/B2: 2.96591	Sterimol/B3: 3.91624
Sterimol/B4: 8.86827	Sterimol/L: 14.4724

Surface and Volume Properties
Accessible surface: 526.817	Positive charged surface: 348.867	Negative charged surface: 177.95	Volume: 267.25
Hydrophobic surface: 353.98	Hydrophilic surface: 172.837

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.