MMsINC Database Search


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MMsINC code: MMs00129786

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

O(C)c1cc2NC(=O)C(=Cc2cc1)CN(Cc1ccccc1)C(=O)C

InChI:

InChI=1/C20H20N2O3/c1-14(23)22(12-15-6-4-3-5-7-15)13-17-10-16-8-9-18(25-2)11-19(16)21-20(17)24/h3-11H,12-13H2,1-2H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.075 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -4.117	SlogP: 3.3458	Reactive groups: 0

Topological Properties
Globularity: 0.0501781	Sterimol/B1: 2.43979	Sterimol/B2: 2.47264	Sterimol/B3: 4.421
Sterimol/B4: 8.24954	Sterimol/L: 18.0987

Surface and Volume Properties
Accessible surface: 577.004	Positive charged surface: 371.329	Negative charged surface: 205.675	Volume: 327.125
Hydrophobic surface: 485.248	Hydrophilic surface: 91.756

Pharmacophoric Properties
Hydrogen bond donors: 1	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.