MMsINC Database Search


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MMsINC code: MMs02855788

Type: Neutral
Formula: C₁₈H₂₀N₂O₃

SMILES:

Oc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)N(C)C

InChI:

InChI=1/C18H20N2O3/c1-20(2)18(23)15(12-13-8-4-3-5-9-13)19-17(22)14-10-6-7-11-16(14)21/h3-11,15,21H,12H2,1-2H3,(H,19,22)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.174 kcal/mol

Physical Properties
Molecular Weight: 312.369 g/mol	logS: -3.06501	SlogP: 1.82147	Reactive groups: 0

Topological Properties
Globularity: 0.149698	Sterimol/B1: 2.25635	Sterimol/B2: 3.29713	Sterimol/B3: 4.79962
Sterimol/B4: 10.2987	Sterimol/L: 14.0289

Surface and Volume Properties
Accessible surface: 561.459	Positive charged surface: 359.164	Negative charged surface: 202.295	Volume: 307.125
Hydrophobic surface: 470.296	Hydrophilic surface: 91.163

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.