MMsINC Database Search


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MMsINC code: MMs02385316

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

O=C1N(Cc2ccccc2)C(=O)CC1N(Cc1ccccc1)C(=O)C

InChI:

InChI=1/C20H20N2O3/c1-15(23)21(13-16-8-4-2-5-9-16)18-12-19(24)22(20(18)25)14-17-10-6-3-7-11-17/h2-11,18H,12-14H2,1H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.758 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -3.68493	SlogP: 2.8956	Reactive groups: 0

Topological Properties
Globularity: 0.128872	Sterimol/B1: 3.25133	Sterimol/B2: 3.68609	Sterimol/B3: 4.35339
Sterimol/B4: 5.08056	Sterimol/L: 14.999

Surface and Volume Properties
Accessible surface: 541.271	Positive charged surface: 317.814	Negative charged surface: 223.458	Volume: 325.875
Hydrophobic surface: 434.536	Hydrophilic surface: 106.735

Pharmacophoric Properties
Hydrogen bond donors: 0	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.