MMsINC Database Search


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MMsINC code: MMs02945431

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O(CCCCN1C=Nc2c(cccc2)C1=O)c1cc(ccc1)C

InChI:

InChI=1/C19H20N2O2/c1-15-7-6-8-16(13-15)23-12-5-4-11-21-14-20-18-10-3-2-9-17(18)19(21)22/h2-3,6-10,13-14H,4-5,11-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.7749 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -4.70392	SlogP: 3.96982	Reactive groups: 0

Topological Properties
Globularity: 0.0406861	Sterimol/B1: 3.56032	Sterimol/B2: 3.75327	Sterimol/B3: 4.05283
Sterimol/B4: 4.83887	Sterimol/L: 20.0724

Surface and Volume Properties
Accessible surface: 602.125	Positive charged surface: 384.125	Negative charged surface: 218	Volume: 311.75
Hydrophobic surface: 531.057	Hydrophilic surface: 71.068

Pharmacophoric Properties
Hydrogen bond donors: 0	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.