MMsINC Database Search


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MMsINC code: MMs01757387

Type: Neutral
Formula: C₂₅H₂₀N₂O

SMILES:

O(Cc1nc2c(n1Cc1c3c(ccc1)cccc3)cccc2)c1ccccc1

InChI:

InChI=1/C25H20N2O/c1-2-12-21(13-3-1)28-18-25-26-23-15-6-7-16-24(23)27(25)17-20-11-8-10-19-9-4-5-14-22(19)20/h1-16H,17-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.129 kcal/mol

Physical Properties
Molecular Weight: 364.448 g/mol	logS: -6.99447	SlogP: 6.3496	Reactive groups: 0

Topological Properties
Globularity: 0.0949635	Sterimol/B1: 3.41731	Sterimol/B2: 3.90525	Sterimol/B3: 6.11717
Sterimol/B4: 6.18174	Sterimol/L: 15.497

Surface and Volume Properties
Accessible surface: 604.075	Positive charged surface: 326.422	Negative charged surface: 267.402	Volume: 366.125
Hydrophobic surface: 559.525	Hydrophilic surface: 44.55

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.