MMsINC Database Search


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MMsINC code: MMs02362003

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

O(CC)c1cc(ccc1)CC1=CN(Cc2ccccc2)C(=O)NC1=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.8183 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -4.29151	SlogP: 3.53007	Reactive groups: 0

Topological Properties
Globularity: 0.0808813	Sterimol/B1: 1.99174	Sterimol/B2: 3.56109	Sterimol/B3: 4.41819
Sterimol/B4: 8.30881	Sterimol/L: 17.2158

Surface and Volume Properties
Accessible surface: 602.549	Positive charged surface: 378.838	Negative charged surface: 223.711	Volume: 330.375
Hydrophobic surface: 464.617	Hydrophilic surface: 137.932

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.