MMsINC Database Search


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MMsINC code: MMs01050508

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O=C1N(c2c(CC1)cccc2)CC(=O)NCCc1ccccc1

InChI:

InChI=1/C19H20N2O2/c22-18(20-13-12-15-6-2-1-3-7-15)14-21-17-9-5-4-8-16(17)10-11-19(21)23/h1-9H,10-14H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.1506 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -3.54871	SlogP: 2.32464	Reactive groups: 0

Topological Properties
Globularity: 0.0810862	Sterimol/B1: 2.41435	Sterimol/B2: 4.73293	Sterimol/B3: 4.99372
Sterimol/B4: 5.09044	Sterimol/L: 16.3132

Surface and Volume Properties
Accessible surface: 579.809	Positive charged surface: 353.394	Negative charged surface: 226.415	Volume: 310
Hydrophobic surface: 500.711	Hydrophilic surface: 79.098

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.